data_1l2n_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 1l2n _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 22' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CG ' ' CD ' ' A' ' 40' ' ' LYS . 1.5 t60 -90.44 103.54 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 39' ' ' ILE . 4.1 pt -138.7 -177.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 15.5 p-10 -104.02 151.98 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -118.66 147.56 43.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.89 111.34 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.97 124.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 60.2 m -116.15 143.52 45.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.59 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 164.29 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.59 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.14 -73.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.91 -3.3 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 9.6 t -94.01 103.98 16.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -134.52 111.72 10.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.481 ' CG1' ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -127.95 144.9 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -137.46 122.6 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -155.12 161.04 41.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 13.0 mttt -91.89 146.21 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.6 mp -142.08 151.07 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' CD ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -90.63 58.13 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 177.64 127.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -75.87 -41.77 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -33.56 94.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.01 -54.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.7 pt? -37.05 -53.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -72.25 -35.71 68.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.57 -77.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -41.37 -39.45 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -43.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.7 tt0 -101.42 -52.09 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . . . -41.77 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -49.97 -44.51 50.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -70.07 -5.9 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -92.96 -25.4 18.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.05 -57.18 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.4 tp60 -87.52 -42.69 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -40.41 -26.85 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLN . 13.9 tttt -53.85 -39.98 66.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.3 tt0 -89.28 -14.46 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 tpt 37.99 29.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.02 -11.22 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' HIS . 18.4 p -117.25 122.73 44.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.93 32.72 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -106.11 102.75 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -98.85 106.81 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -153.25 174.32 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 9.7 t80 -110.52 -48.64 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.04 -68.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.46 42.22 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.158 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.625 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.69 42.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 20.6 ptt180 42.2 49.7 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.41 173.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 20.5 mt-30 -140.56 -179.61 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -87.97 -68.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -126.83 45.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 0.7 OUTLIER -65.16 -8.39 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.0 m -92.26 136.16 26.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.491 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.07 -6.57 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -99.96 -11.61 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.4 t0 -95.55 -44.5 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.7 pp -56.07 -40.78 74.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -27.7 63.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 mtm -100.62 -74.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.0 tp10 -60.4 166.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.28 84.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 5.6 t-20 -175.56 94.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 34.8 t0 -84.28 113.15 20.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.36 129.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 66' ' ' LEU . 14.9 tt0 -116.96 139.4 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.611 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -121.89 94.51 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.68 -179.45 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.608 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -102.83 143.55 32.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.502 ' CB ' HG21 ' A' ' 42' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.0 m-70 -86.0 128.19 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.516 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 23.8 pt -156.94 -178.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 8.5 p30 -97.68 148.38 23.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.688 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -127.19 141.35 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -137.11 116.61 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -99.42 121.3 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.4 108.34 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.2 t0 -135.27 142.78 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.46 -73.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -120.84 -3.57 9.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -89.92 -0.07 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 6.8 pt-20 -49.78 108.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.41 149.0 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.96 126.46 25.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 12.1 p90 -160.82 161.33 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 1.1 mptt -89.7 152.45 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.635 ' CG2' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -146.96 170.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.0 mmtp -106.4 62.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 178.88 140.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -92.46 -54.84 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.19 91.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.91 -46.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.6 pt? -37.94 -41.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -93.59 -26.46 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -65.62 -66.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.4 -37.17 64.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -38.88 9.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -100.73 -42.6 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.3 -66.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.9 -29.42 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.6 -0.7 57.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -98.12 -24.17 15.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -48.1 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 5.6 tp60 -98.14 -39.1 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.93 -19.46 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -59.57 -33.97 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -94.91 -10.45 31.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.48 29.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -10.46 21.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -124.12 127.28 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -138.56 16.06 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' HIS . 15.2 ttt180 -88.64 96.01 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 42.1 p90 -98.05 111.76 23.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -160.47 161.71 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 2.9 t80 -103.94 -42.98 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.449 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 3.9 m-20 -116.08 -75.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.11 46.99 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.42 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -160.37 30.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER 54.38 48.21 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' TYR . 1.8 pt -107.63 169.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 7.7 mp0 -135.02 179.53 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.04 -90.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -103.69 46.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' C ' ' CD ' ' A' ' 76' ' ' GLN . 1.9 tm0? -62.98 -10.98 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 80' ' ' ASP . 1.8 m -73.25 142.09 81.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.04 -13.37 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.5 -29.85 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' CB ' ' HB ' ' A' ' 77' ' ' THR . 39.1 t0 -74.45 -18.44 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 2.0 pp -72.98 -44.86 60.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.35 -9.89 59.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -83.78 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.77 163.99 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.55 83.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 29.5 t-20 -177.05 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 42' ' ' THR . 58.9 m-20 -82.61 121.89 27.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.74 125.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.501 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 9.2 mt -148.23 159.43 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.4 tt0 -104.64 132.66 50.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.553 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -117.51 97.68 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -90.49 -179.44 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.581 ' CD ' ' C ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.29 150.41 20.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.515 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.3 t60 -120.85 107.49 12.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' ILE . 9.6 pt -149.02 -179.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.8 p30 -101.02 166.95 10.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.34 145.04 40.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 16.0 tptt -138.4 115.59 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -102.24 123.35 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.5 m -113.04 134.66 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' C ' ' A' ' 31' ' ' GLY . 1.2 m-20 -149.68 159.34 44.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.582 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.52 -73.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.38 -4.83 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 4.3 t -101.49 106.47 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -145.83 129.54 17.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -145.56 157.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -137.44 126.63 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 35' ' ' ILE . 8.9 m-85 -148.5 160.84 42.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 30.4 mttt -101.39 145.24 29.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -147.38 169.19 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -101.06 63.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' THR . 2.4 ttmt 179.58 131.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -86.48 -42.18 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -35.62 94.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.99 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.8 pt? -41.74 -33.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -97.81 -25.66 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -71.75 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -51.41 -35.7 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -42.76 -41.5 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.9 tt0 -101.11 -48.3 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.08 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.7 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.0 -34.73 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 111.043 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 -3.0 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -97.81 -25.91 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -48.43 4.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' OE1' ' CB ' ' A' ' 33' ' ' SER . 34.4 tp60 -95.87 -41.46 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.61 -24.44 1.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.26 70.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' ASP . 4.6 tt0 -98.33 -11.43 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.7 ttm 37.79 29.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -96.45 -9.86 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 93' ' ' ARG . 3.7 p -121.34 125.91 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.76 43.35 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -122.13 101.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 52' ' ' PHE . 24.0 m-85 -101.08 107.5 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 1.5 pp -160.08 165.77 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.624 ' CE2' HD12 ' A' ' 88' ' ' ILE . 1.1 t80 -104.17 -44.67 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.53 -74.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -177.43 40.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.542 HG13 ' CD1' ' A' ' 72' ' ' ILE . 1.9 pp -158.14 32.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 40.5 mtm180 62.89 52.7 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' A' ' 70' ' ' ILE . 60.6 mt -96.58 162.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.452 ' N ' HG23 ' A' ' 72' ' ' ILE . 11.1 mt-30 -145.2 170.8 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -80.65 -87.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -107.89 44.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 7.0 tm0? -63.49 -9.02 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.16 155.27 36.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.69 -8.54 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.0 t0 -100.26 -41.06 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.2 pp -74.0 -39.58 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.3 -17.94 60.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 22.2 ttp -100.75 -70.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.3 tp10 -75.18 165.26 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.14 83.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -176.33 92.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 63.0 m-20 -83.85 117.93 23.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -161.91 130.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.464 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.7 mt -151.68 171.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 tt0 -117.27 134.49 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.7 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -116.46 97.06 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.89 178.03 8.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.454 ' HG3' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -101.08 147.4 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.495 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.8 m-70 -89.38 121.84 32.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.536 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 28.3 pt -155.55 -179.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 21.7 p-10 -95.24 158.19 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -129.8 144.34 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -135.28 116.64 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.19 119.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -113.07 146.81 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.62 165.0 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.578 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -21.26 -71.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -3.58 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 2.7 t -94.72 107.04 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -138.51 106.96 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.69 147.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.32 132.31 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -155.53 160.89 40.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.37 144.69 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.1 mp -141.3 165.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 5.2 mmtt -102.05 59.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -88.98 -43.86 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.86 93.08 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.694 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.08 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.763 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.7 pt? -40.71 -57.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.3 mtt-85 -73.77 -38.63 64.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 1.2 mmp_? -55.97 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -45.27 -40.76 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.88 -42.29 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -100.53 -50.36 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.63 -67.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.675 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -54.75 -23.34 17.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -87.72 -9.78 53.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . 36.8 mmtt -89.26 -28.83 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 tp60 -80.55 -45.57 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.77 -27.41 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' GLN . 14.1 tttt -53.67 -44.72 69.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -84.75 -14.18 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 36.28 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -100.09 -9.48 22.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.96 122.67 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.73 41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -116.33 101.27 8.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -94.19 110.9 22.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' CD ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -160.28 162.52 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -101.53 -46.18 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -118.67 -69.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.77 46.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.575 1.172 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.621 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -159.43 34.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 25.9 mtm180 47.45 49.84 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.621 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -109.14 177.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.487 ' CG ' HG23 ' A' ' 89' ' ' ILE . 3.3 mp0 -142.11 179.38 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.86 -72.54 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 45.22 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 4.3 tm0? -63.85 -10.84 22.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.7 m -82.38 136.66 45.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.97 -11.09 21.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' CE ' ' A' ' 83' ' ' MET . 4.6 tt0 -100.46 -8.24 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 46.7 t0 -97.03 -43.3 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.6 pp -55.86 -43.17 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -64.8 -20.26 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -98.77 -77.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tt0 -62.51 172.07 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 82.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.401 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.3 m-20 -177.83 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.536 ' OD1' ' CD1' ' A' ' 24' ' ' ILE . 4.5 m-20 -91.64 117.17 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.47 127.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.487 HG23 ' CG ' ' A' ' 73' ' ' GLN . 3.2 mt -149.44 172.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.18 143.75 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.675 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -126.54 98.33 5.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.22 -179.35 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.638 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.02 147.24 23.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -83.24 124.46 30.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 46.0 pt -156.97 -179.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.8 p30 -97.93 161.62 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD23 ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -138.48 142.64 39.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -135.6 120.55 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.23 123.84 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.5 p -118.17 139.46 51.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.37 164.46 29.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.61 -74.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.09 -3.28 9.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.769 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 14.6 t -94.15 101.73 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.72 117.08 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -137.21 137.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -129.37 120.45 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 3.6 m-85 -153.85 161.3 42.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 22.6 mttt -100.91 145.72 28.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 47' ' ' ARG . 4.1 mp -139.11 167.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -99.25 58.86 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.9 mttt 179.42 140.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -89.11 -44.9 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -32.11 93.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.439 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.99 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 pt? -41.7 -36.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.26 -24.1 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' PRO . 4.3 tpm_? -67.79 -68.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD1' ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -53.09 -36.58 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -42.51 -41.82 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -38.84 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.495 ' CB ' HD23 ' A' ' 26' ' ' LEU . . . -57.17 -68.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.674 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -56.44 -16.86 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -94.64 -3.54 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.32 -21.73 17.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -50.31 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -100.35 -38.8 8.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -48.75 -22.46 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -55.77 -37.78 68.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.78 -13.61 33.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 45.9 29.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.31 -12.56 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 1.7 p -117.36 123.21 45.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 38.78 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.505 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 23.6 ttt180 -114.52 101.22 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 49.2 p90 -104.07 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -160.26 164.36 32.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' ILE . 1.3 t80 -109.21 -41.15 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 14.4 m-20 -110.59 -78.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.89 37.14 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.98 25.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 8.6 mtm180 62.18 51.04 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 68' ' ' ASP . 3.2 pt -110.15 168.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 27.3 mt-30 -134.98 176.85 8.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 -87.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.11 47.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 2.1 tm0? -66.73 -8.43 28.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.415 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -92.66 144.78 29.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.92 -10.87 21.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' SD ' ' A' ' 83' ' ' MET . 36.2 mt-10 -98.53 -10.51 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.9 t0 -101.63 -48.78 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 3.7 pp -57.52 -46.54 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.39 -11.99 60.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -100.35 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -69.93 163.25 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -131.95 82.49 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -176.92 88.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.507 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 95.3 m-20 -83.19 121.33 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.3 127.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.483 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 2.9 mt -145.86 170.23 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' LEU . 18.0 tt0 -114.57 143.87 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.674 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -119.11 153.73 34.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.505 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -149.61 -180.0 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.2 mmt-85 -99.8 141.47 32.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.519 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.25 122.16 25.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 14.4 pt -156.87 -179.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.8 p-10 -107.5 152.19 24.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 3.8 tptm -128.75 113.92 15.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.7 m -95.58 120.74 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 5.6 m -110.23 141.79 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 31' ' ' GLY . 1.0 OUTLIER -157.35 159.84 37.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.39 -67.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.51 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -121.53 -3.49 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -100.22 102.94 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.57 114.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.89 151.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.59 146.51 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -156.17 161.22 40.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 2.1 mttt -106.31 136.83 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -138.59 168.82 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' ' 23' ' ' HIS . 2.6 tppt? -99.54 58.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 178.41 142.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.607 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -91.81 -45.57 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.636 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -27.34 88.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.607 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' PRO . 1.6 pt? -37.33 -43.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -91.04 -27.75 18.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -65.41 -69.83 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -50.97 -38.21 49.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -42.02 -44.35 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.78 -36.82 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 -63.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.72 -17.06 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.15 0.01 39.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -24.92 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -55.38 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -90.54 -38.2 13.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.77 -22.41 1.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.96 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -13.37 30.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.1 tpp 42.81 29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.82 -10.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -117.91 122.94 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.04 34.65 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -110.34 101.18 9.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 29.9 p90 -98.66 116.15 30.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -160.6 167.99 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.2 t80 -108.79 -48.94 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' N ' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.27 -68.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.15 42.85 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -158.34 44.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER 39.17 51.3 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -110.92 173.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.5 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 1.5 mt-30 -136.3 175.54 9.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -90.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -96.48 42.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 1.4 tm0? -68.47 -6.36 24.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 m -95.87 143.59 26.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -16.29 20.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.76 -8.85 42.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' GLU . 7.8 t70 -100.4 -51.98 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 3.4 pp -55.16 -39.42 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -19.54 64.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttp -100.89 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' ASP . 5.0 tp10 -65.02 166.33 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.26 95.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.491 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 97.5 m-20 -86.27 118.82 25.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.522 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.37 129.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.2 mt -151.06 174.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' LEU . 8.2 tt0 -124.32 140.35 53.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.519 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -126.45 99.01 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.43 -179.36 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.632 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.5 OUTLIER -96.39 149.11 22.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.635 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -81.08 125.54 30.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.616 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 13.9 pt -157.26 179.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.54 161.29 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -133.78 150.39 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -144.43 108.15 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 m -93.23 118.71 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.52 105.57 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.6 t0 -131.29 143.5 50.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.59 -75.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.11 -2.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.041 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.414 ' OG ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -90.9 3.44 54.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -55.31 123.86 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.59 155.87 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 2.5 p90 -132.71 138.24 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -154.11 160.57 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 142.29 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.4 mp -141.33 166.96 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.635 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.2 mmmm -102.67 59.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.5 mttt 178.07 140.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.03 -42.17 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -32.93 94.65 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -74.98 -29.62 8.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 46' ' ' ARG . 2.6 pt? -61.1 -52.61 64.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.8 mmm180 -78.26 -35.2 48.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 43' ' ' THR . 8.0 mmp_? -60.88 -75.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.04 -41.2 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -38.2 -39.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER -100.59 -57.59 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.03 -29.06 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.17 -1.41 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.4 mmtt -100.0 -26.55 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -49.37 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.45 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 13.7 tp60 -87.61 -35.66 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.74 -14.94 17.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -49.02 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 61' ' ' ASP . 35.7 mt-10 -86.18 -10.81 54.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt 41.07 27.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 59' ' ' GLU . 1.9 m-20 -100.75 -9.19 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 93' ' ' ARG . 1.4 m -120.43 123.68 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.31 26.59 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 27.7 ttt180 -103.6 84.94 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 52.0 p90 -86.38 119.05 26.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -160.5 164.85 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 2.8 t80 -110.4 -39.15 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.488 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -114.31 -74.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.99 35.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.46 37.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 16.9 mtm105 48.99 56.64 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CD1' ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -117.31 171.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -129.11 -179.85 5.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.19 -79.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -112.83 45.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.482 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 1.2 tm0? -62.33 -12.49 21.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -82.6 144.91 49.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.94 -13.43 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.9 tt0 -93.46 -25.05 17.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.2 t70 -83.14 -49.5 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.1 pp -61.85 -43.96 97.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.7 -29.44 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -94.2 -77.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -59.71 170.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -146.27 84.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -176.85 94.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 18.2 t0 -85.71 119.89 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.52 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.56 129.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.3 mt -152.14 169.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.525 ' HG2' ' CE1' ' A' ' 92' ' ' HIS . 2.1 tp10 -110.34 127.9 55.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -107.04 94.64 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.26 -177.8 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.456 ' CA ' ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -124.36 153.34 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.506 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.6 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -97.53 116.07 29.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.583 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 4.2 pt -154.9 -179.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 12.1 p30 -111.17 155.01 23.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -124.95 145.36 49.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.91 112.92 10.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -98.83 120.4 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 28.5 p -109.8 141.6 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.673 ' HD2' ' NH1' ' A' ' 93' ' ' ARG . 13.1 t0 -160.07 157.13 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -24.99 -67.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.16 -4.37 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -100.9 100.6 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -137.49 116.92 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.25 150.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.12 130.5 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -154.9 160.75 41.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -119.68 133.19 55.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -141.19 -179.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -99.38 71.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.627 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 2.1 mtmt 178.32 133.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -93.3 -44.95 8.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.85 90.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.98 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' C ' ' O ' ' A' ' 44' ' ' PRO . 1.4 pt? -33.64 -54.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -76.34 -35.09 58.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.627 ' CZ ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -55.81 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -47.74 -41.6 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttp -39.93 -44.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -42.11 6.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.8 -64.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.99 -17.09 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -99.62 0.56 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -94.98 -24.27 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -49.85 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 4.6 tp60 -99.05 -35.28 10.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -60.78 -13.53 32.91 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -35.3 71.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.46 -11.6 31.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.27 28.7 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.58 -12.44 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -120.75 125.72 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.38 31.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 50.5 ttt180 -107.79 100.44 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 17.9 p90 -104.73 118.78 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 1.4 pp -156.14 -179.91 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 47.9 t80 -114.58 -48.82 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' N ' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -119.0 -67.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.39 42.87 0.13 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.068 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.618 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -159.17 46.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.1 50.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.618 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.0 OUTLIER -109.0 170.41 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 3.5 mp0 -140.76 -179.59 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.89 -99.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.49 45.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.66 -11.99 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -88.83 146.94 37.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.02 -9.97 20.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -97.34 -21.64 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.8 t0 -89.64 -55.45 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 4.5 pp -50.5 -42.45 54.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -68.0 -27.3 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 6.9 mtm -93.5 -82.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ASP . 20.6 tp10 -58.98 160.46 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -134.71 83.33 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -176.42 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.499 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 82.8 m-20 -85.22 119.97 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.19 130.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 3.8 mt -146.7 171.26 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 66' ' ' LEU . 2.9 tt0 -117.94 129.93 55.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.555 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -102.97 156.21 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -147.17 -179.58 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.673 ' NH1' ' HD2' ' A' ' 30' ' ' ASP . 2.0 mmt-85 -106.61 139.17 41.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.522 HG21 ' CG2' ' A' ' 24' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 1.7 t60 -113.95 113.34 24.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.571 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.529 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -151.31 -179.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 46.4 p-10 -98.54 157.82 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -131.36 141.45 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -135.53 115.15 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.05 124.37 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -108.81 145.41 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 31' ' ' GLY . 1.0 OUTLIER -159.99 157.5 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -26.77 -67.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -121.59 -3.64 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.518 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.54 108.86 21.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.77 110.43 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -120.26 141.37 40.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' HB3' ' CD ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -143.3 117.51 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 35' ' ' ILE . 5.0 m-85 -159.03 161.7 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 20.8 mttt -93.38 142.45 27.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.8 mp -137.44 166.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -101.19 59.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -178.67 129.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -81.38 -40.57 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -35.8 96.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.37 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.558 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.5 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 1.5 pt? -36.89 -55.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.3 mtt85 -68.87 -38.31 79.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -64.13 -77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -40.37 -37.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -43.04 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -100.41 -40.82 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.78 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -22.72 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -5.19 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' GLU . 12.3 mttt -94.18 -22.6 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -90.62 -39.9 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.57 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.53 -31.1 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -13.85 24.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 40.83 29.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 -9.52 27.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 64.1 p -120.36 128.0 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.83 38.44 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -119.11 101.58 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -90.73 118.54 30.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 90' ' ' GLU . 2.7 pp -160.46 161.78 32.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 88' ' ' ILE . 11.6 t80 -110.66 -25.96 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -123.95 -73.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.543 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -178.74 35.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.555 HG13 ' CD1' ' A' ' 72' ' ' ILE . 2.1 pp -159.94 37.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 0.6 OUTLIER 60.66 52.73 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.555 ' CD1' HG13 ' A' ' 70' ' ' ILE . 59.6 mt -97.81 163.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' N ' HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -139.01 164.96 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -89.64 -84.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -119.56 45.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' CG ' ' HB3' ' A' ' 45' ' ' LEU . 6.5 mt-30 -68.14 -7.14 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.5 m -80.58 142.3 53.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -74.98 -8.64 20.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.98 -12.0 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.242 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.6 t70 -94.42 -28.51 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 2.7 pp -76.1 -39.13 55.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -66.29 -29.43 69.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -75.93 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.5 tp10 -58.87 168.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -146.59 83.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -176.05 100.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.529 ' OD2' ' CD1' ' A' ' 24' ' ' ILE . 3.8 m-20 -94.55 116.78 29.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -160.14 125.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.471 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.1 mt -152.61 174.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 66' ' ' LEU . 5.2 mt-10 -126.12 147.59 49.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.583 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . . . -132.93 99.27 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.93 -179.93 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.629 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -88.53 151.22 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.48 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.2 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -81.08 114.65 20.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.632 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.52 HD11 ' CB ' ' A' ' 42' ' ' THR . 9.2 pt -152.7 -179.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 17.0 p-10 -108.81 161.7 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.21 143.92 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.9 114.07 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' CG1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -97.81 122.33 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -115.14 136.67 52.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' C ' ' A' ' 31' ' ' GLY . 2.8 m-20 -151.53 157.46 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.6 -72.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -121.17 -4.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -100.42 102.14 13.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -132.04 122.35 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.93 163.92 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -149.9 138.98 21.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -157.35 161.07 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 13.7 mttt -103.37 140.09 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.9 mp -141.17 149.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -81.84 58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 142.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -89.58 -42.98 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.513 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -29.16 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.94 -46.72 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.7 pt? -39.13 -37.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -25.92 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.5 tpm_? -65.23 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -54.63 -40.48 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -41.01 -40.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.0 tt0 -100.57 -48.52 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.37 -66.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.666 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.62 -20.19 12.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.21 -7.68 44.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -93.16 -29.41 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -100.69 -57.07 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.73 -43.57 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.91 -25.82 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -54.14 -41.81 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.3 mt-10 -90.37 -12.23 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 25.4 ptp 36.24 31.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . 10.9 m-20 -98.73 -12.96 20.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.99 126.1 49.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.84 38.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.47 ' CD ' ' HG3' ' A' ' 94' ' ' GLU . 20.3 ttt180 -111.13 100.68 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 44.2 p90 -85.19 101.7 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.568 ' CD1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 tt -136.21 151.87 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' ILE . 5.3 t80 -116.91 -39.33 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 111.061 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -70.83 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.568 ' HA2' ' CD1' ' A' ' 66' ' ' LEU . . . -172.38 45.0 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.62 43.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 1.9 mtm180 40.33 50.69 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.611 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.33 170.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 5.7 mp0 -124.33 175.62 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -81.51 -99.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -89.31 42.78 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 3.9 tm0? -67.41 -6.86 21.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 2.8 m -97.51 143.85 26.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.3 mt-10 -88.69 -11.63 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 -100.19 -57.42 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.2 pp -51.11 -40.08 57.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.21 -26.15 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -100.39 -77.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -58.77 165.88 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -142.35 83.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.44 97.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' THR . 70.7 m-20 -88.12 117.86 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.27 129.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.432 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -150.54 168.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -117.26 133.43 55.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.666 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -113.5 95.05 5.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -79.29 -178.79 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -94.73 141.13 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.47 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.6 m-70 -92.76 113.87 26.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 39' ' ' ILE . 6.3 pt -148.09 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.9 p30 -100.11 159.3 15.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.36 142.38 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 111.99 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -102.6 121.9 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.0 p -117.07 144.55 44.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 166.47 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.17 -73.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -3.28 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 43.5 t -97.42 100.36 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -139.1 108.72 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -136.34 146.59 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -129.01 126.04 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 -148.04 161.09 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -85.73 151.51 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -145.67 160.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.618 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtt -101.6 57.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 175.96 133.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -81.59 -43.83 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -34.21 93.64 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' MET . 2.1 pt? -43.24 -33.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -96.79 -24.87 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -73.22 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -50.66 -33.66 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.2 ttp -45.39 -42.47 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.0 tt0 -100.28 -45.09 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.74 -66.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.662 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.5 -18.22 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.37 -5.41 36.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.6 mmtp -95.96 -27.67 15.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -50.31 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' OE1' ' NH1' ' A' ' 93' ' ' ARG . 10.8 tp60 -91.6 -40.36 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.64 -19.35 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -58.01 -26.7 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -12.16 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 44.69 28.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -100.35 -10.65 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 11.1 t -107.53 112.89 25.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.34 40.81 3.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 3.2 ttm180 -143.92 81.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.2 p90 -81.63 119.24 23.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -150.69 157.91 43.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.4 t80 -103.89 -41.94 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 6.4 m-20 -110.15 -75.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.408 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -173.64 32.95 0.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.532 HG12 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.82 48.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.9 57.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.532 ' CG2' HG12 ' A' ' 70' ' ' ILE . 1.1 pt -116.08 171.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' NE2' ' CD1' ' A' ' 65' ' ' PHE . 1.3 mt-30 -134.45 178.78 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.74 -88.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -95.49 40.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 1.1 tm0? -65.72 -11.78 48.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.457 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 2.3 m -80.39 145.72 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.02 -11.67 21.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -32.08 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.7 t70 -69.9 -40.21 75.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.6 pp -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.25 -20.03 65.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtm -100.4 -81.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.4 tp10 -62.82 163.89 8.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.83 83.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.3 m-20 -175.79 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.488 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 15.1 m-20 -86.92 120.22 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.8 129.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.2 mt -152.26 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 29' ' ' SER . 2.5 tt0 -119.57 137.13 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.662 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -106.29 100.86 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -80.18 159.71 25.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.547 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.53 150.25 21.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 22' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -79.48 120.51 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.546 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 14.5 pt -153.8 -179.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 36.3 p-10 -97.22 169.48 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' CD1' ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.31 143.71 40.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -132.46 115.84 16.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.4 m -104.34 120.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 64.4 p -115.28 144.97 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.17 164.91 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -22.13 -71.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.38 -3.08 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -95.09 105.83 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.824 ' H ' ' NH2' ' A' ' 55' ' ' ARG . 10.1 pt-20 -138.1 109.64 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 28' ' ' VAL . 4.8 tp -134.07 156.66 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 3.0 p90 -138.17 131.68 30.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -147.72 160.98 42.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 6.3 mtpt -107.7 140.96 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.8 mp -139.5 171.58 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' HG3' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -103.5 59.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER 179.36 143.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.43 -42.33 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -31.4 93.12 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.95 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.8 pt? -39.33 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -95.96 -26.46 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -66.58 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.66 -38.98 82.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' MET . 2.6 tpt -41.92 -42.49 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.2 tt0 -100.12 -45.64 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.2 -24.65 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.71 -4.38 55.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' GLU . 7.0 tptt -91.88 -29.1 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.824 ' NH2' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -101.85 -57.34 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 14.2 tp60 -82.38 -38.39 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.92 -16.86 6.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -60.05 -35.92 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.87 -0.86 53.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 mmt 38.38 29.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' GLU . 9.8 t70 -100.92 -9.44 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 40.9 t -102.58 103.04 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.44 38.66 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 1.7 ttt180 -138.85 80.7 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 26.4 p90 -82.43 119.75 24.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -160.02 158.42 30.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -102.03 -42.17 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.84 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.53 41.56 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.501 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -157.45 40.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 6.1 ptt180 43.92 48.75 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG2' HD11 ' A' ' 70' ' ' ILE . 2.1 pt -105.08 173.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -137.17 -179.87 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.14 -88.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.62 44.76 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 2.3 tm0? -65.66 -9.53 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.9 m -92.64 146.21 31.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -13.72 21.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.86 -9.74 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.13 -42.77 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.0 pp -66.47 -38.85 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.68 -12.64 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.428 ' HE2' ' N ' ' A' ' 84' ' ' GLU . 3.9 ttp -101.26 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' N ' ' HE2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -89.56 177.51 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.78 83.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -177.14 98.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.546 ' OD1' ' CD1' ' A' ' 24' ' ' ILE . 4.0 m-20 -87.65 120.04 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.54 128.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 73' ' ' GLN . 2.3 mt -150.9 172.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 66' ' ' LEU . 3.3 tt0 -117.13 136.5 52.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -111.81 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.508 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 m-70 -83.87 155.02 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.622 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.2 mmm-85 -97.04 143.46 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.3 m-70 -85.21 121.34 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 3.0 pt -158.1 -178.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.7 p-10 -110.44 149.41 30.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD23 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -116.48 143.43 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 6.6 tptm -135.87 111.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.503 ' CG1' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -97.29 122.08 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.0 m -112.07 143.15 43.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.076 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.3 m-20 -158.05 160.04 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.54 -74.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.527 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -121.68 -3.82 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 2.9 t -100.4 109.22 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 128.39 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.95 151.42 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 1.3 p90 -135.84 132.87 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -151.88 161.06 43.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' C ' ' CD1' ' A' ' 39' ' ' ILE . 10.1 mmtt -102.01 145.27 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.512 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 4.2 mp -146.32 161.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -94.88 59.22 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 22.0 pttt -179.96 142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -92.08 -47.58 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -27.8 90.14 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.577 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.6 pt? -38.56 -39.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -92.9 -27.09 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -68.08 -69.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -51.34 -38.13 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -41.21 -42.52 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -42.25 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -66.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.702 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.79 -16.87 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 0.15 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -97.05 -25.52 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -51.19 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -94.24 -40.19 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.3 -23.14 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -31.87 68.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -99.75 -11.0 21.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.17 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -95.06 -9.74 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 9.1 p -116.85 124.72 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 39.67 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -119.49 100.79 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 48.3 p90 -99.76 114.3 27.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -160.41 172.11 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 2.6 t80 -116.61 -48.83 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 20.9 m-20 -107.11 -74.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -174.71 37.12 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -153.47 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 ptt180 43.6 56.68 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.486 ' CG2' HG12 ' A' ' 70' ' ' ILE . 1.3 pt -114.95 164.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.479 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 15.3 mt-30 -127.06 178.37 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -84.97 -76.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.44 46.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -65.68 -9.65 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 80' ' ' ASP . 2.1 m -77.33 144.31 70.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.1 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.61 -44.9 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.476 ' CB ' ' HB ' ' A' ' 77' ' ' THR . 26.9 t0 -53.95 -38.11 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.5 pp -60.03 -40.9 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -70.43 -17.19 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 83' ' ' MET . 11.5 mmt -100.79 -79.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -59.77 161.98 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.81 82.72 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -176.96 93.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.531 ' OD2' ' O ' ' A' ' 42' ' ' THR . 2.8 m-20 -82.54 116.03 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 128.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 2.8 mt -148.64 171.34 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' SER . 2.4 tt0 -120.88 133.31 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.702 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -120.72 94.54 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.76 177.38 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -98.46 147.53 24.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' NE ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.511 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 3.9 m-70 -85.51 124.7 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.502 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 25.5 pt -156.65 -179.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.5 p-10 -97.64 155.63 16.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -127.01 144.77 50.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 110.28 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' CG1' HD23 ' A' ' 26' ' ' LEU . 1.1 m -95.54 121.53 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.05 106.55 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' GLY . 16.5 t0 -132.08 147.83 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.21 -76.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -121.1 -2.65 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -85.44 -10.95 55.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.44 112.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -143.12 158.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' N ' HG22 ' A' ' 35' ' ' ILE . 16.5 p90 -130.15 141.4 50.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -157.65 160.71 38.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -102.77 140.82 36.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.4 mp -140.33 167.59 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.69 59.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mtmt 179.17 136.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -84.82 -40.69 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -30.48 93.23 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.595 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.99 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' HB3' ' CB ' ' A' ' 76' ' ' GLN . 2.5 pt? -55.46 -50.62 69.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 28.8 mtt180 -79.1 -33.05 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.595 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 2.6 mmp_? -62.17 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -42.01 -37.22 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttp -41.9 -41.67 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.9 tt0 -100.45 -46.74 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.87 -68.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -54.44 -25.06 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.08 -3.14 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.3 tptt -97.48 -28.55 13.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -49.07 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 13.8 tp60 -93.0 -41.88 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.54 -23.9 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -48.25 66.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.77 -12.81 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.85 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.79 -9.07 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 93' ' ' ARG . 4.8 m -126.73 131.17 51.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 19.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 3.5 ttp180 -97.72 80.51 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 24.8 p90 -84.53 121.8 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 90' ' ' GLU . 1.1 pp -157.47 159.6 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -98.13 -42.42 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.31 -67.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.55 40.27 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -156.7 45.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 37.83 50.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.33 178.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 6.3 mp0 -138.4 -179.48 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.88 -89.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -103.01 45.37 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.07 -18.16 63.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -75.67 144.17 76.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HA ' HD21 ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.96 -8.82 20.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 -9.11 22.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.3 t70 -100.81 -41.2 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.1 pp -67.89 -43.59 78.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -17.57 64.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -76.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.7 tt0 -68.22 169.04 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -140.59 83.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.85 95.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CD1' ' A' ' 24' ' ' ILE . 8.3 m-20 -88.48 122.18 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.73 129.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 2.6 mt -151.02 170.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -110.92 130.83 55.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -109.62 111.07 22.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.406 ' C ' ' HB3' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -100.9 -179.64 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.497 ' CB ' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -103.05 153.01 20.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 4.4 m-70 -85.72 122.49 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 37.5 pt -156.51 178.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 2.3 p-10 -91.62 159.83 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -133.27 140.97 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -136.23 117.87 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -104.82 121.32 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 4.9 m -112.55 141.14 46.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.01 163.24 31.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -23.48 -69.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.87 -3.24 9.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -93.66 101.78 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 3.6 pt-20 -133.5 110.05 9.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -130.91 144.21 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -137.46 117.11 13.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.68 161.1 42.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.3 143.86 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' ILE . 3.1 mp -139.26 166.75 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 23' ' ' HIS . 4.3 mmtp -102.96 58.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 22' ' ' THR . 7.7 mtpt 178.35 133.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -82.65 -44.24 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.42 91.57 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.362 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.03 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 44' ' ' PRO . 1.5 pt? -33.44 -54.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -37.7 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -57.04 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -47.15 -37.21 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -41.56 -41.44 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.1 -46.59 4.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.6 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.46 -19.9 6.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 49' ' ' MET . . . -93.41 -6.43 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -90.18 -27.74 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.71 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 1.4 tm0? -80.81 -44.66 18.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.61 -26.48 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -53.4 -47.08 69.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.0 mt-10 -84.23 -14.05 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 mtt 38.72 29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -97.07 -13.92 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 4.8 p -109.16 117.46 34.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.15 38.91 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 92' ' ' HIS . 25.9 ttt180 -120.11 100.57 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.7 p90 -98.08 111.75 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -160.07 163.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -109.22 -44.68 3.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -107.37 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.62 37.05 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -150.54 33.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.502 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 1.5 mtm-85 52.99 57.65 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' TYR . 1.2 pt -118.69 168.17 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -134.33 179.21 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.353 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.3 -90.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.28 43.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 4.6 tm0? -66.37 -7.78 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m -96.52 148.18 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.01 -14.83 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -98.68 -9.27 24.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.38 -32.89 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 2.7 pp -74.67 -36.27 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -21.58 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -79.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.32 165.63 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 1.2 p-10 -143.02 82.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -176.74 100.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.521 ' OD1' ' CD1' ' A' ' 24' ' ' ILE . 26.8 m-20 -89.17 114.91 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.39 131.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.476 HG23 ' CG ' ' A' ' 73' ' ' GLN . 2.5 mt -151.33 171.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 66' ' ' LEU . 3.5 tt0 -121.39 134.59 55.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -115.19 95.85 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ARG . 2.3 m80 -79.73 174.44 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -98.24 143.1 29.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.571 ' O ' HG21 ' A' ' 22' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.529 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -80.43 121.13 25.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.576 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.542 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 23.2 pt -154.13 177.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 7.7 p30 -90.21 163.34 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -137.47 144.07 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -137.34 128.58 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -117.43 129.26 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 8.1 p -123.96 133.96 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.89 169.2 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -18.13 -77.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -120.31 -2.95 10.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 20.4 t -100.04 99.93 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -143.76 113.74 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CG2' ' HG3' ' A' ' 55' ' ' ARG . 2.9 tt -137.22 172.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.22 128.38 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.96 160.36 41.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' C ' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -96.04 144.62 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.5 mp -143.09 168.12 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -104.15 59.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.26 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.55 -42.7 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.37 93.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.576 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.3 Cg_endo -75.0 -33.77 4.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 46' ' ' ARG . 2.5 pt? -56.38 -52.97 62.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.73 -35.09 52.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 4.3 mmp_? -60.36 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -42.9 -36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.5 tmm? -40.82 -42.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.7 -39.75 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.81 -67.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.28 -22.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.86 -5.52 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -96.14 -25.07 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HG3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.15 -53.29 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' NE2' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -91.28 -39.45 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.27 -21.33 2.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -42.36 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.09 -15.89 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 mtm 45.45 28.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -100.69 -10.46 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -122.25 124.93 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.81 34.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 22.1 ttt180 -107.99 101.07 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.1 p90 -95.69 118.04 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 1.1 pp -157.96 176.53 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ILE . 29.2 t80 -116.36 -41.88 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -123.16 -69.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.86 47.02 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -160.17 32.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.475 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 35.2 mtp180 52.14 45.85 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -104.25 170.24 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 2.1 mt-30 -137.92 177.31 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.74 -89.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -101.53 41.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 2.6 tm0? -63.07 -8.46 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 8.2 m -92.25 145.09 30.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.03 -8.08 19.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.501 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.2 tt0 -100.52 -16.06 17.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.8 t0 -95.19 -34.11 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.4 pp -72.96 -43.51 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -29.89 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -96.56 -75.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -58.43 159.1 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -138.76 82.99 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -178.26 95.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.542 ' OD2' ' CD1' ' A' ' 24' ' ' ILE . 3.2 m-20 -85.64 119.7 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.234 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.65 129.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 5.5 mt -148.44 170.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 66' ' ' LEU . 4.0 tt0 -115.53 135.18 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.601 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -111.08 137.32 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -125.92 -178.32 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.4 mmt85 -102.17 139.64 37.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.9 m-70 -87.51 125.97 34.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 1.1 pt -157.74 179.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 4.1 p-10 -93.55 158.31 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CG ' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -127.8 143.93 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -142.25 111.25 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -102.56 121.54 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.6 p -110.65 141.41 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.1 m-20 -153.07 156.88 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.88 -72.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -3.42 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -100.07 105.99 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.51 134.8 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.95 147.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.51 123.43 11.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -160.14 161.26 33.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 67.7 mttt -93.13 144.75 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.5 mp -140.56 165.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtm -102.64 59.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 141.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.54 -43.8 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.392 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.85 95.38 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -74.98 -52.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.9 pt? -37.97 -54.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.403 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.8 mmt180 -73.19 -35.71 66.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -64.03 -78.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -40.22 -37.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -39.55 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.77 -67.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -54.53 -26.21 30.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.46 -6.65 58.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -94.92 -25.1 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -53.73 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.28 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 56' ' ' GLN . 25.1 mttt -52.75 -47.75 67.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -84.07 -13.29 53.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.8 ttm 38.4 29.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -99.35 -9.78 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 17.9 m -128.79 130.88 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -144.94 17.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -79.48 100.69 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -85.73 104.71 15.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.583 ' CD1' ' HA2' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -142.59 157.5 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -118.75 -32.59 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.51 -72.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.583 ' HA2' ' CD1' ' A' ' 66' ' ' LEU . . . -167.92 44.71 0.24 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.96 43.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.2 ptm85 38.73 52.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.53 169.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.22 175.83 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -80.5 -97.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -96.17 42.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 4.7 tm0? -64.37 -9.04 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.51 146.39 31.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.486 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.1 Cg_endo -75.07 -18.25 18.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -6.25 57.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -100.03 -54.44 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.5 pp -52.3 -33.31 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -24.77 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 83' ' ' MET . 6.0 mmt -101.03 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -62.05 170.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.19 82.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.88 101.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.495 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -88.53 113.35 24.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.98 131.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.7 mt -150.9 169.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -118.11 124.84 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.704 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -109.83 91.75 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -78.83 -179.11 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.629 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.496 ' CD ' ' C ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -84.75 144.04 28.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 64' ' ' ARG . 18.5 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.6 m-70 -86.21 122.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 25.5 pt -156.92 -178.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 6.7 p-10 -98.94 164.61 12.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -135.05 133.26 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 105.6 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.1 m -91.06 117.42 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.2 t -89.81 134.48 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.599 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.6 t0 -162.66 142.64 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.15 -74.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -122.43 -2.57 8.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.487 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -83.98 -15.49 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.003 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -36.83 108.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.433 ' CG2' ' HG3' ' A' ' 55' ' ' ARG . 3.3 tp -134.28 156.6 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -132.77 140.67 48.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -157.32 160.75 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -103.45 149.9 24.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -152.73 168.75 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.26 61.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.4 ttmt 179.16 138.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -91.23 -47.06 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -31.71 92.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -40.22 -34.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.0 OUTLIER -99.88 -25.29 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -71.28 -67.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -54.79 -30.34 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 20.2 ttp -47.38 -40.85 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.6 tm-20 -101.2 -43.27 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.42 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -53.16 -27.55 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.06 -11.6 56.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' GLU . 1.8 tptt -91.68 -28.39 17.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.1 -56.45 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 40.3 tp60 -83.25 -43.23 16.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.46 -19.5 4.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -55.06 -46.19 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.2 mm-40 -90.6 -8.13 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm 39.65 29.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 m-20 -97.11 -10.04 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.509 ' OG ' ' CG ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -116.75 121.34 41.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.58 33.22 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -110.92 101.32 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.25 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.653 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -104.52 115.32 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' GLU . 2.3 pp -161.27 -179.32 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 3.9 t80 -117.12 -39.59 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.91 -68.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.75 36.39 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.01 48.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.47 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.07 49.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.502 ' CD1' HD12 ' A' ' 70' ' ' ILE . 1.1 pt -105.32 167.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' N ' HE21 ' A' ' 73' ' ' GLN . 0.4 OUTLIER -132.33 -178.83 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -95.21 -99.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -86.63 45.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.508 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.8 tm0? -71.84 -2.85 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.79 143.46 31.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -74.96 -16.7 20.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' CE ' ' A' ' 83' ' ' MET . 67.7 mt-10 -95.78 -27.05 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLU . 13.4 t70 -76.68 -48.82 17.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.506 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.0 pp -53.86 -43.35 69.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -22.83 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.494 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.73 -82.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.1 tt0 -60.29 161.88 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.61 82.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.8 t30 -176.91 89.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 44.9 m-20 -81.72 116.45 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' ILE . 0.3 OUTLIER -154.24 136.24 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 4.2 mt -152.46 178.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.2 tt0 -120.68 139.88 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.713 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -130.06 94.7 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -84.92 -179.13 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.36 149.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -91.01 117.46 29.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' O ' ' O ' ' A' ' 39' ' ' ILE . 3.4 pt -155.94 -178.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.1 p30 -105.74 151.93 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -120.13 140.63 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -132.72 110.43 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 2.4 m -99.31 117.27 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -110.23 128.29 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' HD2' ' N ' ' A' ' 31' ' ' GLY . 10.0 t70 -144.51 155.99 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' N ' ' HD2' ' A' ' 30' ' ' ASP . . . -25.74 -65.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -4.97 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.533 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -100.65 99.2 9.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -132.97 114.47 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CB ' ' HG3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -135.22 148.96 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -136.5 127.34 27.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -153.81 161.04 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 7.9 mttt -102.17 137.2 40.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.522 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.7 mp -136.85 169.79 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.27 59.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.3 mtmt -175.25 128.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.508 ' HA ' ' CG1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.74 -41.49 16.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.5 t -33.21 97.07 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.673 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.3 Cg_endo -74.97 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.5 pt? -37.94 -57.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 21.3 mmt85 -72.29 -38.68 68.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.75 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -41.27 -40.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -38.51 -42.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.5 tt0 -100.72 -51.56 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.45 -65.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.45 -19.57 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.08 -2.71 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' GLU . 32.0 mmtt -99.45 -24.13 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HG3' ' CB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.55 -46.84 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -100.34 -36.87 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.88 -17.69 16.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -56.88 -33.59 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.03 -13.99 26.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.99 29.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -100.04 -10.26 21.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -125.47 128.18 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.74 39.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' HIS . 36.5 ttt85 -123.08 82.67 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 35.7 p90 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.509 ' O ' ' O ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -157.39 155.67 30.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ILE . 14.3 t80 -100.7 -41.81 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.18 -75.53 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.41 32.77 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.54 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -152.28 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 39.03 58.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.523 ' CG2' HG12 ' A' ' 70' ' ' ILE . 1.1 pt -117.75 165.43 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.466 ' CG ' HG22 ' A' ' 89' ' ' ILE . 7.4 mp0 -136.57 -177.58 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.37 -91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -83.64 47.98 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' A' ' 73' ' ' GLN . 2.1 tt0 -62.81 -9.26 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.522 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 3.0 m -103.88 147.13 33.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.558 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -75.03 -15.9 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.1 mt-10 -90.83 -21.34 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -86.85 -42.21 13.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.1 pp -64.45 -38.57 91.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.39 -19.77 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.7 mtm -100.51 -78.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 174.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.6 84.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 22.5 p-10 -174.59 95.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' OD2' ' CB ' ' A' ' 47' ' ' ARG . 9.7 t0 -93.32 84.33 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -124.82 128.93 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 7.5 mt -143.43 170.88 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' LEU . 4.1 tt0 -120.69 130.31 54.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -102.54 145.33 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -132.39 -179.36 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.55 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 1.3 mmm-85 -100.31 143.27 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 3.3 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 24' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.424 -0.214 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.548 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -83.84 122.49 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -150.45 -178.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 2.7 p-10 -103.78 141.42 36.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -119.61 158.58 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -148.72 128.41 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -109.63 131.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -122.57 117.5 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -132.83 166.62 21.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.27 -73.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -2.9 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -99.12 100.17 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.34 116.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 tp -144.1 156.54 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -132.99 130.08 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -144.1 160.88 40.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.26 134.05 41.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.7 mp -132.87 165.6 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.473 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -98.67 59.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' CD ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 179.34 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.449 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -86.16 -41.68 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -36.23 98.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 46' ' ' ARG . 2.2 pt? -44.81 -54.51 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.9 mtt180 -73.98 -38.62 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 4.1 mmp_? -62.69 -77.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.75 -38.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -39.98 -44.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -101.22 -40.66 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' LYS . . . -51.24 -65.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -51.05 -39.93 57.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -76.14 -3.77 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 tptt -88.1 -29.47 20.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -61.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.69 -40.24 34.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -52.34 -18.63 5.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -100.25 -12.21 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.6 29.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -100.52 -13.18 18.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.494 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 56.3 m -124.93 128.95 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 14.37 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' HIS . 28.9 ttt180 -91.08 84.83 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 45.7 p90 -81.6 121.84 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -157.34 165.94 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ILE . 13.5 t80 -108.95 -43.89 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.77 -69.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.45 35.53 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -153.58 49.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER 36.69 44.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' HD13 ' A' ' 70' ' ' ILE . 2.4 pt -102.12 170.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 1.7 mt-30 -128.67 173.42 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -82.71 -80.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -110.33 42.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 2.5 tm0? -63.66 -15.04 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.6 m -71.58 138.27 83.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.372 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.0 -9.02 20.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -24.59 14.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -79.72 -47.63 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.9 pp -53.55 -40.3 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -21.58 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 mtm -98.29 -83.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.69 164.49 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.418 ' C ' HD11 ' A' ' 24' ' ' ILE . 7.5 p-10 -134.21 80.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.552 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 8.8 t-20 -178.25 100.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.67 92.99 6.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -129.02 134.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 3.1 mt -150.49 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.501 ' O ' ' O ' ' A' ' 66' ' ' LEU . 3.7 tp10 -114.49 136.56 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -111.01 108.48 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -98.48 171.76 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.6 148.56 23.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 2.0 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 2.0 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -159.14 153.28 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CG ' ' CD ' ' A' ' 40' ' ' LYS . 1.5 t60 -90.44 103.54 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 39' ' ' ILE . 4.1 pt -138.7 -177.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 15.5 p-10 -104.02 151.98 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -118.66 147.56 43.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.89 111.34 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.97 124.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 60.2 m -116.15 143.52 45.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.59 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 164.29 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.59 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.14 -73.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.91 -3.3 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 9.6 t -94.01 103.98 16.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -134.52 111.72 10.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.481 ' CG1' ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -127.95 144.9 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -137.46 122.6 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -155.12 161.04 41.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 13.0 mttt -91.89 146.21 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.6 mp -142.08 151.07 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' CD ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -90.63 58.13 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 177.64 127.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -75.87 -41.77 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -33.56 94.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.01 -54.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.7 pt? -37.05 -53.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -72.25 -35.71 68.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.57 -77.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -41.37 -39.45 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -43.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.7 tt0 -101.42 -52.09 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . . . -41.77 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -49.97 -44.51 50.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -70.07 -5.9 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -92.96 -25.4 18.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.05 -57.18 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.486 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.4 tp60 -87.52 -42.69 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -40.41 -26.85 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLN . 13.9 tttt -53.85 -39.98 66.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.3 tt0 -89.28 -14.46 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 tpt 37.99 29.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.02 -11.22 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' HIS . 18.4 p -117.25 122.73 44.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.93 32.72 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -106.11 102.75 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -98.85 106.81 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -153.25 174.32 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 9.7 t80 -110.52 -48.64 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -117.04 -68.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.46 42.22 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.158 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.625 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.69 42.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 20.6 ptt180 42.2 49.7 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.41 173.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 20.5 mt-30 -140.56 -179.61 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -87.97 -68.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -126.83 45.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 0.7 OUTLIER -65.16 -8.39 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.0 m -92.26 136.16 26.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.491 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.07 -6.57 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -99.96 -11.61 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.4 t0 -95.55 -44.5 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.7 pp -56.07 -40.78 74.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -27.7 63.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 mtm -100.62 -74.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.0 tp10 -60.4 166.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.28 84.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 5.6 t-20 -175.56 94.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 34.8 t0 -84.28 113.15 20.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.36 129.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 66' ' ' LEU . 14.9 tt0 -116.96 139.4 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.611 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -121.89 94.51 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.68 -179.45 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.608 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -102.83 143.55 32.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -161.23 79.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -154.3 96.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' CD1' ' C ' ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.502 ' CB ' HG21 ' A' ' 42' ' ' THR . 0.3 OUTLIER -84.8 132.2 34.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.412 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.0 m-70 -86.0 128.19 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.516 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 23.8 pt -156.94 -178.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 8.5 p30 -97.68 148.38 23.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.688 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -127.19 141.35 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -137.11 116.61 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -99.42 121.3 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.4 108.34 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.2 t0 -135.27 142.78 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.46 -73.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -120.84 -3.57 9.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -89.92 -0.07 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 6.8 pt-20 -49.78 108.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.41 149.0 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.96 126.46 25.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 12.1 p90 -160.82 161.33 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 1.1 mptt -89.7 152.45 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.635 ' CG2' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -146.96 170.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.0 mmtp -106.4 62.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 178.88 140.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -92.46 -54.84 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.19 91.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.91 -46.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.6 pt? -37.94 -41.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -93.59 -26.46 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -65.62 -66.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.4 -37.17 64.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -38.88 9.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -100.73 -42.6 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.3 -66.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.9 -29.42 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.6 -0.7 57.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -98.12 -24.17 15.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -48.1 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 5.6 tp60 -98.14 -39.1 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.93 -19.46 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -59.57 -33.97 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -94.91 -10.45 31.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.48 29.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -10.46 21.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -124.12 127.28 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -138.56 16.06 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' HIS . 15.2 ttt180 -88.64 96.01 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 42.1 p90 -98.05 111.76 23.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -160.47 161.71 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 2.9 t80 -103.94 -42.98 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 3.9 m-20 -116.08 -75.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.11 46.99 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.42 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -160.37 30.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER 54.38 48.21 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' TYR . 1.8 pt -107.63 169.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 7.7 mp0 -135.02 179.53 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.04 -90.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -103.69 46.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' C ' ' CD ' ' A' ' 76' ' ' GLN . 1.9 tm0? -62.98 -10.98 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 80' ' ' ASP . 1.8 m -73.25 142.09 81.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.04 -13.37 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.5 -29.85 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' CB ' ' HB ' ' A' ' 77' ' ' THR . 39.1 t0 -74.45 -18.44 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 2.0 pp -72.98 -44.86 60.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.35 -9.89 59.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -83.78 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.77 163.99 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.55 83.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 29.5 t-20 -177.05 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 42' ' ' THR . 58.9 m-20 -82.61 121.89 27.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.74 125.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.501 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 9.2 mt -148.23 159.43 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.4 tt0 -104.64 132.66 50.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.553 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -117.51 97.68 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -90.49 -179.44 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.581 ' CD ' ' C ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.29 150.41 20.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 tt0 -160.78 79.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -160.39 151.38 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -154.32 -178.12 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.515 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.3 t60 -120.85 107.49 12.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 39' ' ' ILE . 9.6 pt -149.02 -179.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.8 p30 -101.02 166.95 10.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.34 145.04 40.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 16.0 tptt -138.4 115.59 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -102.24 123.35 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.5 m -113.04 134.66 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' C ' ' A' ' 31' ' ' GLY . 1.2 m-20 -149.68 159.34 44.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.582 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.52 -73.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.38 -4.83 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 4.3 t -101.49 106.47 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -145.83 129.54 17.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -145.56 157.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -137.44 126.63 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 35' ' ' ILE . 8.9 m-85 -148.5 160.84 42.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 30.4 mttt -101.39 145.24 29.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -147.38 169.19 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -101.06 63.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' THR . 2.4 ttmt 179.58 131.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -86.48 -42.18 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -35.62 94.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.99 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.8 pt? -41.74 -33.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -97.81 -25.66 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -71.75 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -51.41 -35.7 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -42.76 -41.5 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.9 tt0 -101.11 -48.3 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.08 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.7 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.0 -34.73 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 111.043 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 -3.0 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -97.81 -25.91 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -48.43 4.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' OE1' ' CB ' ' A' ' 33' ' ' SER . 34.4 tp60 -95.87 -41.46 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.61 -24.44 1.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.26 70.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' ASP . 4.6 tt0 -98.33 -11.43 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.7 ttm 37.79 29.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -96.45 -9.86 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 93' ' ' ARG . 3.7 p -121.34 125.91 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.76 43.35 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -122.13 101.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 52' ' ' PHE . 24.0 m-85 -101.08 107.5 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 1.5 pp -160.08 165.77 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.624 ' CE2' HD12 ' A' ' 88' ' ' ILE . 1.1 t80 -104.17 -44.67 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.53 -74.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -177.43 40.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.542 HG13 ' CD1' ' A' ' 72' ' ' ILE . 1.9 pp -158.14 32.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 40.5 mtm180 62.89 52.7 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' A' ' 70' ' ' ILE . 60.6 mt -96.58 162.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.452 ' N ' HG23 ' A' ' 72' ' ' ILE . 11.1 mt-30 -145.2 170.8 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -80.65 -87.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -107.89 44.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 7.0 tm0? -63.49 -9.02 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.16 155.27 36.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.69 -8.54 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.0 t0 -100.26 -41.06 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.2 pp -74.0 -39.58 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.3 -17.94 60.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 22.2 ttp -100.75 -70.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.3 tp10 -75.18 165.26 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.14 83.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -176.33 92.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 63.0 m-20 -83.85 117.93 23.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -161.91 130.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.464 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.7 mt -151.68 171.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 tt0 -117.27 134.49 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.7 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -116.46 97.06 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.89 178.03 8.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.454 ' HG3' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -101.08 147.4 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -161.01 79.41 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.33 119.81 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' CG ' HD11 ' A' ' 81' ' ' LEU . 23.0 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.495 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.0 OUTLIER -160.95 146.55 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.8 m-70 -89.38 121.84 32.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.536 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 28.3 pt -155.55 -179.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 21.7 p-10 -95.24 158.19 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -129.8 144.34 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -135.28 116.64 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.19 119.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -113.07 146.81 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.62 165.0 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.578 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -21.26 -71.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -3.58 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 2.7 t -94.72 107.04 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -138.51 106.96 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.69 147.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.32 132.31 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -155.53 160.89 40.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.37 144.69 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.1 mp -141.3 165.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 5.2 mmtt -102.05 59.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -88.98 -43.86 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.86 93.08 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.694 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.08 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.763 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.7 pt? -40.71 -57.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.3 mtt-85 -73.77 -38.63 64.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 1.2 mmp_? -55.97 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -45.27 -40.76 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.88 -42.29 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -100.53 -50.36 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.63 -67.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.675 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -54.75 -23.34 17.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -87.72 -9.78 53.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . 36.8 mmtt -89.26 -28.83 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 tp60 -80.55 -45.57 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.77 -27.41 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' GLN . 14.1 tttt -53.67 -44.72 69.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -84.75 -14.18 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 36.28 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -100.09 -9.48 22.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.96 122.67 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.73 41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -116.33 101.27 8.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -94.19 110.9 22.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' CD ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -160.28 162.52 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -101.53 -46.18 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -118.67 -69.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.77 46.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.575 1.172 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.621 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -159.43 34.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 25.9 mtm180 47.45 49.84 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.621 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -109.14 177.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.487 ' CG ' HG23 ' A' ' 89' ' ' ILE . 3.3 mp0 -142.11 179.38 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.86 -72.54 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 45.22 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 4.3 tm0? -63.85 -10.84 22.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.7 m -82.38 136.66 45.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.97 -11.09 21.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' CE ' ' A' ' 83' ' ' MET . 4.6 tt0 -100.46 -8.24 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 46.7 t0 -97.03 -43.3 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.6 pp -55.86 -43.17 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -64.8 -20.26 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -98.77 -77.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tt0 -62.51 172.07 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 82.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.401 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.3 m-20 -177.83 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.536 ' OD1' ' CD1' ' A' ' 24' ' ' ILE . 4.5 m-20 -91.64 117.17 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.47 127.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.487 HG23 ' CG ' ' A' ' 73' ' ' GLN . 3.2 mt -149.44 172.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.18 143.75 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.675 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -126.54 98.33 5.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.22 -179.35 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.638 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.02 147.24 23.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -160.34 78.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -159.05 116.61 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' CD1' ' C ' ' A' ' 96' ' ' ILE . 1.7 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -92.71 123.66 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -83.24 124.46 30.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 46.0 pt -156.97 -179.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.8 p30 -97.93 161.62 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD23 ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -138.48 142.64 39.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -135.6 120.55 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.23 123.84 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.5 p -118.17 139.46 51.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.37 164.46 29.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.61 -74.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.09 -3.28 9.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.769 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 14.6 t -94.15 101.73 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.72 117.08 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -137.21 137.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -129.37 120.45 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 3.6 m-85 -153.85 161.3 42.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 22.6 mttt -100.91 145.72 28.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 47' ' ' ARG . 4.1 mp -139.11 167.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -99.25 58.86 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.9 mttt 179.42 140.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -89.11 -44.9 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -32.11 93.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.439 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.521 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.99 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 pt? -41.7 -36.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.26 -24.1 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' PRO . 4.3 tpm_? -67.79 -68.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD1' ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -53.09 -36.58 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -42.51 -41.82 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -38.84 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.495 ' CB ' HD23 ' A' ' 26' ' ' LEU . . . -57.17 -68.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.674 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -56.44 -16.86 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -94.64 -3.54 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.32 -21.73 17.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -50.31 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -100.35 -38.8 8.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -48.75 -22.46 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -55.77 -37.78 68.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.78 -13.61 33.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 45.9 29.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.31 -12.56 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 1.7 p -117.36 123.21 45.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 38.78 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.505 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 23.6 ttt180 -114.52 101.22 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 49.2 p90 -104.07 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -160.26 164.36 32.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' ILE . 1.3 t80 -109.21 -41.15 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 14.4 m-20 -110.59 -78.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.89 37.14 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.98 25.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 8.6 mtm180 62.18 51.04 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 68' ' ' ASP . 3.2 pt -110.15 168.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 27.3 mt-30 -134.98 176.85 8.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 -87.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.11 47.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 2.1 tm0? -66.73 -8.43 28.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.415 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -92.66 144.78 29.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.92 -10.87 21.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' SD ' ' A' ' 83' ' ' MET . 36.2 mt-10 -98.53 -10.51 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.9 t0 -101.63 -48.78 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 3.7 pp -57.52 -46.54 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.39 -11.99 60.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -100.35 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -69.93 163.25 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -131.95 82.49 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -176.92 88.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.507 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 95.3 m-20 -83.19 121.33 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.3 127.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.483 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 2.9 mt -145.86 170.23 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' LEU . 18.0 tt0 -114.57 143.87 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -119.11 153.73 34.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.505 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -149.61 -180.0 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.2 mmt-85 -99.8 141.47 32.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -160.6 78.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -158.22 112.75 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.451 ' CD1' ' C ' ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -149.5 135.24 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.25 122.16 25.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 14.4 pt -156.87 -179.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.8 p-10 -107.5 152.19 24.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 3.8 tptm -128.75 113.92 15.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.7 m -95.58 120.74 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 5.6 m -110.23 141.79 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.54 ' O ' ' C ' ' A' ' 31' ' ' GLY . 1.0 OUTLIER -157.35 159.84 37.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.39 -67.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.51 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -121.53 -3.49 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -100.22 102.94 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.57 114.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.89 151.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.59 146.51 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -156.17 161.22 40.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 2.1 mttt -106.31 136.83 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -138.59 168.82 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' ' 23' ' ' HIS . 2.6 tppt? -99.54 58.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 178.41 142.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.607 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -91.81 -45.57 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.636 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -27.34 88.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.607 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' PRO . 1.6 pt? -37.33 -43.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -91.04 -27.75 18.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.636 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -65.41 -69.83 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -50.97 -38.21 49.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -42.02 -44.35 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.78 -36.82 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 -63.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.72 -17.06 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.15 0.01 39.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -24.92 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -55.38 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -90.54 -38.2 13.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.77 -22.41 1.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.96 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -13.37 30.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.1 tpp 42.81 29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.82 -10.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -117.91 122.94 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.04 34.65 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -110.34 101.18 9.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 29.9 p90 -98.66 116.15 30.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -160.6 167.99 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.2 t80 -108.79 -48.94 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' N ' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.27 -68.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.15 42.85 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -158.34 44.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER 39.17 51.3 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.617 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -110.92 173.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.5 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 1.5 mt-30 -136.3 175.54 9.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -90.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -96.48 42.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 1.4 tm0? -68.47 -6.36 24.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 m -95.87 143.59 26.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -16.29 20.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.76 -8.85 42.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' GLU . 7.8 t70 -100.4 -51.98 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 3.4 pp -55.16 -39.42 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -19.54 64.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttp -100.89 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' ASP . 5.0 tp10 -65.02 166.33 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.26 95.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.491 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 97.5 m-20 -86.27 118.82 25.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.522 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.37 129.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.2 mt -151.06 174.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' LEU . 8.2 tt0 -124.32 140.35 53.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -126.45 99.01 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.43 -179.36 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.632 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.5 OUTLIER -96.39 149.11 22.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.64 79.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.37 113.11 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -94.03 124.61 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.635 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -81.08 125.54 30.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.616 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 13.9 pt -157.26 179.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.54 161.29 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -133.78 150.39 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -144.43 108.15 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 m -93.23 118.71 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.52 105.57 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.6 t0 -131.29 143.5 50.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.59 -75.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.11 -2.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.041 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.414 ' OG ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -90.9 3.44 54.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -55.31 123.86 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.59 155.87 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 2.5 p90 -132.71 138.24 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -154.11 160.57 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 142.29 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.4 mp -141.33 166.96 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.635 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.2 mmmm -102.67 59.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.5 mttt 178.07 140.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.03 -42.17 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.517 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -32.93 94.65 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -74.98 -29.62 8.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 46' ' ' ARG . 2.6 pt? -61.1 -52.61 64.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.8 mmm180 -78.26 -35.2 48.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 43' ' ' THR . 8.0 mmp_? -60.88 -75.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.04 -41.2 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -38.2 -39.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER -100.59 -57.59 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.03 -29.06 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.17 -1.41 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.4 mmtt -100.0 -26.55 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -49.37 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.45 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 13.7 tp60 -87.61 -35.66 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.74 -14.94 17.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -49.02 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 61' ' ' ASP . 35.7 mt-10 -86.18 -10.81 54.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt 41.07 27.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 59' ' ' GLU . 1.9 m-20 -100.75 -9.19 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 93' ' ' ARG . 1.4 m -120.43 123.68 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.31 26.59 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 27.7 ttt180 -103.6 84.94 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 52.0 p90 -86.38 119.05 26.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -160.5 164.85 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 2.8 t80 -110.4 -39.15 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.488 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -114.31 -74.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.99 35.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.46 37.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 16.9 mtm105 48.99 56.64 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CD1' ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -117.31 171.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -129.11 -179.85 5.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.19 -79.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -112.83 45.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.482 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 1.2 tm0? -62.33 -12.49 21.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -82.6 144.91 49.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.94 -13.43 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.9 tt0 -93.46 -25.05 17.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.2 t70 -83.14 -49.5 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.1 pp -61.85 -43.96 97.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -58.7 -29.44 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -94.2 -77.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -59.71 170.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -146.27 84.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -176.85 94.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 18.2 t0 -85.71 119.89 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.52 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.56 129.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.3 mt -152.14 169.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.525 ' HG2' ' CE1' ' A' ' 92' ' ' HIS . 2.1 tp10 -110.34 127.9 55.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -107.04 94.64 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.26 -177.8 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.456 ' CA ' ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -124.36 153.34 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.54 78.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -142.26 111.96 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.506 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.6 t -146.53 166.88 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -97.53 116.07 29.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.583 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 4.2 pt -154.9 -179.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 12.1 p30 -111.17 155.01 23.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -124.95 145.36 49.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.91 112.92 10.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -98.83 120.4 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 28.5 p -109.8 141.6 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.673 ' HD2' ' NH1' ' A' ' 93' ' ' ARG . 13.1 t0 -160.07 157.13 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -24.99 -67.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.16 -4.37 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -100.9 100.6 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -137.49 116.92 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.25 150.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.12 130.5 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -154.9 160.75 41.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -119.68 133.19 55.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -141.19 -179.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -99.38 71.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.627 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 2.1 mtmt 178.32 133.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -93.3 -44.95 8.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.85 90.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.98 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' C ' ' O ' ' A' ' 44' ' ' PRO . 1.4 pt? -33.64 -54.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -76.34 -35.09 58.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.627 ' CZ ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -55.81 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' CD2' ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -47.74 -41.6 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttp -39.93 -44.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -42.11 6.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.8 -64.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.99 -17.09 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -99.62 0.56 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -94.98 -24.27 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -49.85 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 4.6 tp60 -99.05 -35.28 10.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -60.78 -13.53 32.91 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -35.3 71.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.46 -11.6 31.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.27 28.7 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.58 -12.44 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -120.75 125.72 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.38 31.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 50.5 ttt180 -107.79 100.44 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 17.9 p90 -104.73 118.78 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 1.4 pp -156.14 -179.91 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 47.9 t80 -114.58 -48.82 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' N ' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -119.0 -67.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.39 42.87 0.13 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.068 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.618 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -159.17 46.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.1 50.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.618 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.0 OUTLIER -109.0 170.41 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 3.5 mp0 -140.76 -179.59 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.89 -99.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.49 45.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -66.66 -11.99 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -88.83 146.94 37.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.02 -9.97 20.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' CE ' ' A' ' 83' ' ' MET . 0.3 OUTLIER -97.34 -21.64 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.8 t0 -89.64 -55.45 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 4.5 pp -50.5 -42.45 54.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -68.0 -27.3 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 6.9 mtm -93.5 -82.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ASP . 20.6 tp10 -58.98 160.46 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -134.71 83.33 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -176.42 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.499 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 82.8 m-20 -85.22 119.97 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.19 130.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.492 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 3.8 mt -146.7 171.26 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 66' ' ' LEU . 2.9 tt0 -117.94 129.93 55.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.555 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -102.97 156.21 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -147.17 -179.58 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.673 ' NH1' ' HD2' ' A' ' 30' ' ' ASP . 2.0 mmt-85 -106.61 139.17 41.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -160.46 85.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -156.72 104.85 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' CD1' ' C ' ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.522 HG21 ' CG2' ' A' ' 24' ' ' ILE . 1.8 t -135.33 -179.4 5.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 1.7 t60 -113.95 113.34 24.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.571 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.529 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -151.31 -179.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 46.4 p-10 -98.54 157.82 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -131.36 141.45 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -135.53 115.15 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.05 124.37 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -108.81 145.41 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 31' ' ' GLY . 1.0 OUTLIER -159.99 157.5 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -26.77 -67.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -121.59 -3.64 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.518 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.54 108.86 21.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.77 110.43 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -120.26 141.37 40.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' HB3' ' CD ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -143.3 117.51 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 35' ' ' ILE . 5.0 m-85 -159.03 161.7 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 20.8 mttt -93.38 142.45 27.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.8 mp -137.44 166.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -101.19 59.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -178.67 129.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' OD2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -81.38 -40.57 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -35.8 96.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.37 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.558 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.5 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 ' HB3' ' CG ' ' A' ' 76' ' ' GLN . 1.5 pt? -36.89 -55.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.3 mtt85 -68.87 -38.31 79.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -64.13 -77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -40.37 -37.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -43.04 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -100.41 -40.82 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.78 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -22.72 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -5.19 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' GLU . 12.3 mttt -94.18 -22.6 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -90.62 -39.9 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.57 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.53 -31.1 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -13.85 24.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 40.83 29.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 -9.52 27.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 64.1 p -120.36 128.0 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.83 38.44 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -119.11 101.58 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -90.73 118.54 30.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' O ' ' O ' ' A' ' 90' ' ' GLU . 2.7 pp -160.46 161.78 32.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 88' ' ' ILE . 11.6 t80 -110.66 -25.96 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -123.95 -73.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -178.74 35.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.555 HG13 ' CD1' ' A' ' 72' ' ' ILE . 2.1 pp -159.94 37.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 0.6 OUTLIER 60.66 52.73 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.555 ' CD1' HG13 ' A' ' 70' ' ' ILE . 59.6 mt -97.81 163.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' N ' HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -139.01 164.96 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -89.64 -84.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -119.56 45.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' CG ' ' HB3' ' A' ' 45' ' ' LEU . 6.5 mt-30 -68.14 -7.14 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.5 m -80.58 142.3 53.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -74.98 -8.64 20.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.98 -12.0 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.242 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.6 t70 -94.42 -28.51 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 2.7 pp -76.1 -39.13 55.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -66.29 -29.43 69.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -75.93 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.5 tp10 -58.87 168.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -146.59 83.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -176.05 100.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.529 ' OD2' ' CD1' ' A' ' 24' ' ' ILE . 3.8 m-20 -94.55 116.78 29.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -160.14 125.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.471 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.1 mt -152.61 174.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 66' ' ' LEU . 5.2 mt-10 -126.12 147.59 49.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.583 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . . . -132.93 99.27 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.93 -179.93 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.629 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -88.53 151.22 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -160.41 78.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -160.36 119.64 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.438 ' CD1' ' C ' ' A' ' 96' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 5.2 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.48 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.2 t -157.33 144.5 18.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -81.08 114.65 20.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.632 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.52 HD11 ' CB ' ' A' ' 42' ' ' THR . 9.2 pt -152.7 -179.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 17.0 p-10 -108.81 161.7 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.21 143.92 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.9 114.07 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' CG1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -97.81 122.33 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -115.14 136.67 52.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' C ' ' A' ' 31' ' ' GLY . 2.8 m-20 -151.53 157.46 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.6 -72.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -121.17 -4.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -100.42 102.14 13.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -132.04 122.35 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.93 163.92 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -149.9 138.98 21.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -157.35 161.07 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 13.7 mttt -103.37 140.09 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.9 mp -141.17 149.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -81.84 58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 142.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -89.58 -42.98 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.513 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -29.16 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.94 -46.72 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.7 pt? -39.13 -37.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -25.92 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.5 tpm_? -65.23 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -54.63 -40.48 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -41.01 -40.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.0 tt0 -100.57 -48.52 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.37 -66.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.666 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.62 -20.19 12.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.21 -7.68 44.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -93.16 -29.41 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -100.69 -57.07 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.73 -43.57 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.91 -25.82 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -54.14 -41.81 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.3 mt-10 -90.37 -12.23 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 25.4 ptp 36.24 31.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . 10.9 m-20 -98.73 -12.96 20.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.99 126.1 49.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.84 38.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.47 ' CD ' ' HG3' ' A' ' 94' ' ' GLU . 20.3 ttt180 -111.13 100.68 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 44.2 p90 -85.19 101.7 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.568 ' CD1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 tt -136.21 151.87 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' ILE . 5.3 t80 -116.91 -39.33 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 111.061 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.54 -70.83 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.568 ' HA2' ' CD1' ' A' ' 66' ' ' LEU . . . -172.38 45.0 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.62 43.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 1.9 mtm180 40.33 50.69 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.611 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.33 170.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 5.7 mp0 -124.33 175.62 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -81.51 -99.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -89.31 42.78 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 3.9 tm0? -67.41 -6.86 21.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 2.8 m -97.51 143.85 26.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.3 mt-10 -88.69 -11.63 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 -100.19 -57.42 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.2 pp -51.11 -40.08 57.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.21 -26.15 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -100.39 -77.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -58.77 165.88 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -142.35 83.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.44 97.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' THR . 70.7 m-20 -88.12 117.86 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.27 129.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.432 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -150.54 168.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -117.26 133.43 55.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.666 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -113.5 95.05 5.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -79.29 -178.79 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -94.73 141.13 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.47 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -159.7 79.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -158.89 99.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 1.6 t -139.98 156.12 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.6 m-70 -92.76 113.87 26.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 39' ' ' ILE . 6.3 pt -148.09 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.9 p30 -100.11 159.3 15.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.36 142.38 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 111.99 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -102.6 121.9 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.0 p -117.07 144.55 44.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 166.47 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.17 -73.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -3.28 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 43.5 t -97.42 100.36 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -139.1 108.72 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -136.34 146.59 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -129.01 126.04 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.555 ' CE2' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 -148.04 161.09 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -85.73 151.51 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -145.67 160.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.618 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtt -101.6 57.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 175.96 133.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -81.59 -43.83 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -34.21 93.64 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' MET . 2.1 pt? -43.24 -33.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -96.79 -24.87 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -73.22 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -50.66 -33.66 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.2 ttp -45.39 -42.47 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.0 tt0 -100.28 -45.09 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.74 -66.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.662 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.5 -18.22 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.37 -5.41 36.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.6 mmtp -95.96 -27.67 15.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -50.31 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' OE1' ' NH1' ' A' ' 93' ' ' ARG . 10.8 tp60 -91.6 -40.36 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.64 -19.35 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -58.01 -26.7 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -12.16 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 44.69 28.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' OD1' ' NE2' ' A' ' 95' ' ' GLN . 37.9 t70 -100.35 -10.65 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 11.1 t -107.53 112.89 25.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.34 40.81 3.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 3.2 ttm180 -143.92 81.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.2 p90 -81.63 119.24 23.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -150.69 157.91 43.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.4 t80 -103.89 -41.94 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 6.4 m-20 -110.15 -75.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.408 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -173.64 32.95 0.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.532 HG12 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.82 48.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.9 57.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.532 ' CG2' HG12 ' A' ' 70' ' ' ILE . 1.1 pt -116.08 171.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' NE2' ' CD1' ' A' ' 65' ' ' PHE . 1.3 mt-30 -134.45 178.78 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.74 -88.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -95.49 40.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 1.1 tm0? -65.72 -11.78 48.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.457 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 2.3 m -80.39 145.72 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.02 -11.67 21.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -32.08 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.7 t70 -69.9 -40.21 75.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.6 pp -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.25 -20.03 65.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtm -100.4 -81.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.4 tp10 -62.82 163.89 8.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.83 83.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.3 m-20 -175.79 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 15.1 m-20 -86.92 120.22 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.8 129.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.466 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 1.2 mt -152.26 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 29' ' ' SER . 2.5 tt0 -119.57 137.13 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.662 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -106.29 100.86 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -80.18 159.71 25.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.547 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.53 150.25 21.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.98 78.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.7 tt0 -160.19 117.52 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 9.4 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -157.44 136.93 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -79.48 120.51 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.546 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 14.5 pt -153.8 -179.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 36.3 p-10 -97.22 169.48 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' CD1' ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.31 143.71 40.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -132.46 115.84 16.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.4 m -104.34 120.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 64.4 p -115.28 144.97 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.17 164.91 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -22.13 -71.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.38 -3.08 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -95.09 105.83 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.824 ' H ' ' NH2' ' A' ' 55' ' ' ARG . 10.1 pt-20 -138.1 109.64 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 28' ' ' VAL . 4.8 tp -134.07 156.66 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 3.0 p90 -138.17 131.68 30.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -147.72 160.98 42.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 6.3 mtpt -107.7 140.96 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.8 mp -139.5 171.58 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' HG3' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -103.5 59.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER 179.36 143.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.43 -42.33 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -31.4 93.12 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.95 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.8 pt? -39.33 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -95.96 -26.46 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -66.58 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.66 -38.98 82.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' MET . 2.6 tpt -41.92 -42.49 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.2 tt0 -100.12 -45.64 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.2 -24.65 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.71 -4.38 55.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' GLU . 7.0 tptt -91.88 -29.1 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.824 ' NH2' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -101.85 -57.34 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 14.2 tp60 -82.38 -38.39 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.92 -16.86 6.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -60.05 -35.92 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.87 -0.86 53.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 mmt 38.38 29.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' GLU . 9.8 t70 -100.92 -9.44 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.552 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 40.9 t -102.58 103.04 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.44 38.66 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 1.7 ttt180 -138.85 80.7 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 26.4 p90 -82.43 119.75 24.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -160.02 158.42 30.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.501 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -102.03 -42.17 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.84 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.53 41.56 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.501 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -157.45 40.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 6.1 ptt180 43.92 48.75 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.501 ' CG2' HD11 ' A' ' 70' ' ' ILE . 2.1 pt -105.08 173.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 0.5 OUTLIER -137.17 -179.87 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.14 -88.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.62 44.76 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 2.3 tm0? -65.66 -9.53 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.9 m -92.64 146.21 31.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -13.72 21.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.86 -9.74 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.13 -42.77 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.0 pp -66.47 -38.85 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.68 -12.64 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.428 ' HE2' ' N ' ' A' ' 84' ' ' GLU . 3.9 ttp -101.26 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' N ' ' HE2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -89.56 177.51 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.78 83.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -177.14 98.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.546 ' OD1' ' CD1' ' A' ' 24' ' ' ILE . 4.0 m-20 -87.65 120.04 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.54 128.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 73' ' ' GLN . 2.3 mt -150.9 172.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 66' ' ' LEU . 3.3 tt0 -117.13 136.5 52.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -111.81 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.508 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 m-70 -83.87 155.02 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.622 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.2 mmm-85 -97.04 143.46 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.19 78.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -149.44 107.2 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -161.73 145.81 12.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.3 m-70 -85.21 121.34 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 3.0 pt -158.1 -178.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.7 p-10 -110.44 149.41 30.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD23 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -116.48 143.43 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 6.6 tptm -135.87 111.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.503 ' CG1' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -97.29 122.08 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.0 m -112.07 143.15 43.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.076 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.3 m-20 -158.05 160.04 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.54 -74.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.527 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -121.68 -3.82 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 2.9 t -100.4 109.22 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 128.39 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.95 151.42 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 1.3 p90 -135.84 132.87 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -151.88 161.06 43.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' C ' ' CD1' ' A' ' 39' ' ' ILE . 10.1 mmtt -102.01 145.27 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.512 ' CD1' ' C ' ' A' ' 38' ' ' LYS . 4.2 mp -146.32 161.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -94.88 59.22 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 22.0 pttt -179.96 142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -92.08 -47.58 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -27.8 90.14 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.577 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.6 pt? -38.56 -39.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -92.9 -27.09 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -68.08 -69.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -51.34 -38.13 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -41.21 -42.52 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -42.25 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -66.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.702 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.79 -16.87 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 0.15 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -97.05 -25.52 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -51.19 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -94.24 -40.19 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.3 -23.14 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -31.87 68.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -99.75 -11.0 21.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.17 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -95.06 -9.74 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 9.1 p -116.85 124.72 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 39.67 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -119.49 100.79 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 48.3 p90 -99.76 114.3 27.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -160.41 172.11 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 2.6 t80 -116.61 -48.83 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 20.9 m-20 -107.11 -74.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' A' ' 70' ' ' ILE . . . -174.71 37.12 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -153.47 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 ptt180 43.6 56.68 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.486 ' CG2' HG12 ' A' ' 70' ' ' ILE . 1.3 pt -114.95 164.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 15.3 mt-30 -127.06 178.37 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -84.97 -76.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.44 46.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -65.68 -9.65 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 80' ' ' ASP . 2.1 m -77.33 144.31 70.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.1 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.61 -44.9 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.476 ' CB ' ' HB ' ' A' ' 77' ' ' THR . 26.9 t0 -53.95 -38.11 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.5 pp -60.03 -40.9 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -70.43 -17.19 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.54 ' CE ' ' HA ' ' A' ' 83' ' ' MET . 11.5 mmt -100.79 -79.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -59.77 161.98 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.81 82.72 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -176.96 93.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.531 ' OD2' ' O ' ' A' ' 42' ' ' THR . 2.8 m-20 -82.54 116.03 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 128.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.412 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 2.8 mt -148.64 171.34 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' SER . 2.4 tt0 -120.88 133.31 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.702 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -120.72 94.54 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.76 177.38 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -98.46 147.53 24.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' NE ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -160.51 79.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 102.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.511 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -96.47 128.31 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 3.9 m-70 -85.51 124.7 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.502 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 25.5 pt -156.65 -179.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.5 p-10 -97.64 155.63 16.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -127.01 144.77 50.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 110.28 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' CG1' HD23 ' A' ' 26' ' ' LEU . 1.1 m -95.54 121.53 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.05 106.55 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' GLY . 16.5 t0 -132.08 147.83 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.21 -76.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -121.1 -2.65 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -85.44 -10.95 55.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.44 112.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -143.12 158.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' N ' HG22 ' A' ' 35' ' ' ILE . 16.5 p90 -130.15 141.4 50.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -157.65 160.71 38.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -102.77 140.82 36.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.4 mp -140.33 167.59 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.69 59.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mtmt 179.17 136.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -84.82 -40.69 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -30.48 93.23 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.595 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.4 Cg_endo -74.99 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' HB3' ' CB ' ' A' ' 76' ' ' GLN . 2.5 pt? -55.46 -50.62 69.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 28.8 mtt180 -79.1 -33.05 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.595 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 2.6 mmp_? -62.17 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -42.01 -37.22 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttp -41.9 -41.67 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.9 tt0 -100.45 -46.74 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.87 -68.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -54.44 -25.06 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.08 -3.14 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.3 tptt -97.48 -28.55 13.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -49.07 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 13.8 tp60 -93.0 -41.88 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.54 -23.9 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -48.25 66.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.77 -12.81 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.85 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.79 -9.07 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 93' ' ' ARG . 4.8 m -126.73 131.17 51.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 19.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 3.5 ttp180 -97.72 80.51 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 24.8 p90 -84.53 121.8 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 90' ' ' GLU . 1.1 pp -157.47 159.6 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -98.13 -42.42 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.31 -67.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.55 40.27 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -156.7 45.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 37.83 50.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.33 178.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 6.3 mp0 -138.4 -179.48 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.88 -89.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -103.01 45.37 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' CB ' ' HB3' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.07 -18.16 63.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' HD21 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -75.67 144.17 76.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HA ' HD21 ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.96 -8.82 20.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 -9.11 22.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.3 t70 -100.81 -41.2 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HB2' ' CG2' ' A' ' 42' ' ' THR . 4.1 pp -67.89 -43.59 78.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -17.57 64.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -76.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.7 tt0 -68.22 169.04 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -140.59 83.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.85 95.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.502 ' OD2' ' CD1' ' A' ' 24' ' ' ILE . 8.3 m-20 -88.48 122.18 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.73 129.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 2.6 mt -151.02 170.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -110.92 130.83 55.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -109.62 111.07 22.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' C ' ' HB3' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -100.9 -179.64 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.497 ' CB ' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -103.05 153.01 20.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -156.82 78.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 96' ' ' ILE . 1.2 tp60 -160.15 134.88 7.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 5.0 mp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.5 OUTLIER -82.55 128.69 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 4.4 m-70 -85.72 122.49 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 37.5 pt -156.51 178.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 2.3 p-10 -91.62 159.83 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -133.27 140.97 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -136.23 117.87 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -104.82 121.32 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 4.9 m -112.55 141.14 46.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.01 163.24 31.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -23.48 -69.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.87 -3.24 9.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -93.66 101.78 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 3.6 pt-20 -133.5 110.05 9.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -130.91 144.21 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -137.46 117.11 13.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.68 161.1 42.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.3 143.86 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' O ' ' O ' ' A' ' 24' ' ' ILE . 3.1 mp -139.26 166.75 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 23' ' ' HIS . 4.3 mmtp -102.96 58.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 22' ' ' THR . 7.7 mtpt 178.35 133.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -82.65 -44.24 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.42 91.57 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.362 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.56 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.03 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 44' ' ' PRO . 1.5 pt? -33.44 -54.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -37.7 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -57.04 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -47.15 -37.21 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -41.56 -41.44 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.1 -46.59 4.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.6 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.46 -19.9 6.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 49' ' ' MET . . . -93.41 -6.43 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -90.18 -27.74 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.71 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 1.4 tm0? -80.81 -44.66 18.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.61 -26.48 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -53.4 -47.08 69.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.0 mt-10 -84.23 -14.05 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 mtt 38.72 29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -97.07 -13.92 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 4.8 p -109.16 117.46 34.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.15 38.91 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 92' ' ' HIS . 25.9 ttt180 -120.11 100.57 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.7 p90 -98.08 111.75 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -160.07 163.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.8 t80 -109.22 -44.68 3.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -107.37 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.62 37.05 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -150.54 33.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.502 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 1.5 mtm-85 52.99 57.65 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' TYR . 1.2 pt -118.69 168.17 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 0.9 OUTLIER -134.33 179.21 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.353 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.3 -90.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.28 43.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 73' ' ' GLN . 4.6 tm0? -66.37 -7.78 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 1.2 m -96.52 148.18 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.01 -14.83 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -98.68 -9.27 24.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.38 -32.89 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 2.7 pp -74.67 -36.27 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -21.58 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -79.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.32 165.63 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 1.2 p-10 -143.02 82.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -176.74 100.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.521 ' OD1' ' CD1' ' A' ' 24' ' ' ILE . 26.8 m-20 -89.17 114.91 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.39 131.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.476 HG23 ' CG ' ' A' ' 73' ' ' GLN . 2.5 mt -151.33 171.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 66' ' ' LEU . 3.5 tt0 -121.39 134.59 55.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -115.19 95.85 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ARG . 2.3 m80 -79.73 174.44 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -98.24 143.1 29.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -160.82 79.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -159.06 139.92 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 41' ' ' LYS . 6.3 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.571 ' O ' HG21 ' A' ' 22' ' ' THR . 0.6 OUTLIER -121.71 133.35 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -80.43 121.13 25.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.576 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.542 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 23.2 pt -154.13 177.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 7.7 p30 -90.21 163.34 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -137.47 144.07 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -137.34 128.58 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -117.43 129.26 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 8.1 p -123.96 133.96 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.89 169.2 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -18.13 -77.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -120.31 -2.95 10.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 20.4 t -100.04 99.93 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -143.76 113.74 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CG2' ' HG3' ' A' ' 55' ' ' ARG . 2.9 tt -137.22 172.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.22 128.38 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.96 160.36 41.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' C ' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -96.04 144.62 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.5 mp -143.09 168.12 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -104.15 59.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.55 -42.7 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.37 93.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.576 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.3 Cg_endo -75.0 -33.77 4.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 46' ' ' ARG . 2.5 pt? -56.38 -52.97 62.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.73 -35.09 52.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 4.3 mmp_? -60.36 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -42.9 -36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.5 tmm? -40.82 -42.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.7 -39.75 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.81 -67.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.28 -22.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.86 -5.52 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -96.14 -25.07 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HG3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.15 -53.29 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' NE2' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -91.28 -39.45 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.27 -21.33 2.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -42.36 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.09 -15.89 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 mtm 45.45 28.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -100.69 -10.46 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -122.25 124.93 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.81 34.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 22.1 ttt180 -107.99 101.07 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.1 p90 -95.69 118.04 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CB ' ' HA ' ' A' ' 71' ' ' ARG . 1.1 pp -157.96 176.53 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' ILE . 29.2 t80 -116.36 -41.88 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -123.16 -69.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.86 47.02 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -160.17 32.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.475 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 35.2 mtp180 52.14 45.85 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -104.25 170.24 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 2.1 mt-30 -137.92 177.31 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.74 -89.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -101.53 41.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 2.6 tm0? -63.07 -8.46 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 8.2 m -92.25 145.09 30.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.03 -8.08 19.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.501 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.2 tt0 -100.52 -16.06 17.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.8 t0 -95.19 -34.11 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.4 pp -72.96 -43.51 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -29.89 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -96.56 -75.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -58.43 159.1 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -138.76 82.99 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -178.26 95.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.542 ' OD2' ' CD1' ' A' ' 24' ' ' ILE . 3.2 m-20 -85.64 119.7 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.234 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.65 129.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 5.5 mt -148.44 170.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 66' ' ' LEU . 4.0 tt0 -115.53 135.18 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . . . -111.08 137.32 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -125.92 -178.32 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.4 mmt85 -102.17 139.64 37.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -160.53 79.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -157.47 120.12 3.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -161.51 144.7 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.9 m-70 -87.51 125.97 34.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 1.1 pt -157.74 179.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 4.1 p-10 -93.55 158.31 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CG ' ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -127.8 143.93 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -142.25 111.25 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -102.56 121.54 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.6 p -110.65 141.41 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.1 m-20 -153.07 156.88 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.88 -72.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -3.42 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -100.07 105.99 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.51 134.8 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.95 147.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.51 123.43 11.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -160.14 161.26 33.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 67.7 mttt -93.13 144.75 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.5 mp -140.56 165.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtm -102.64 59.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 141.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -90.54 -43.8 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.392 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.85 95.38 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -74.98 -52.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.9 pt? -37.97 -54.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.8 mmt180 -73.19 -35.71 66.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -64.03 -78.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -40.22 -37.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -39.55 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.77 -67.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -54.53 -26.21 30.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.46 -6.65 58.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -94.92 -25.1 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -53.73 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.28 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 56' ' ' GLN . 25.1 mttt -52.75 -47.75 67.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -84.07 -13.29 53.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.8 ttm 38.4 29.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -99.35 -9.78 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 17.9 m -128.79 130.88 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -144.94 17.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -79.48 100.69 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -85.73 104.71 15.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.583 ' CD1' ' HA2' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -142.59 157.5 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -118.75 -32.59 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.51 -72.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.583 ' HA2' ' CD1' ' A' ' 66' ' ' LEU . . . -167.92 44.71 0.24 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.96 43.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.2 ptm85 38.73 52.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.626 ' CD1' ' CD1' ' A' ' 70' ' ' ILE . 1.1 pt -108.53 169.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.22 175.83 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -80.5 -97.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -96.17 42.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 4.7 tm0? -64.37 -9.04 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.51 146.39 31.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.486 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.1 Cg_endo -75.07 -18.25 18.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -6.25 57.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -100.03 -54.44 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.5 pp -52.3 -33.31 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -24.77 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.535 ' CE ' ' HA ' ' A' ' 83' ' ' MET . 6.0 mmt -101.03 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -62.05 170.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.19 82.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.88 101.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.495 ' C ' ' CG2' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -88.53 113.35 24.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.98 131.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 2.7 mt -150.9 169.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -118.11 124.84 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.704 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -109.83 91.75 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -78.83 -179.11 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.629 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.496 ' CD ' ' C ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -84.75 144.04 28.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 64' ' ' ARG . 18.5 tt0 -158.45 79.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.77 119.89 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -86.88 128.07 35.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.6 m-70 -86.21 122.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 25.5 pt -156.92 -178.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 6.7 p-10 -98.94 164.61 12.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -135.05 133.26 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 105.6 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.1 m -91.06 117.42 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.2 t -89.81 134.48 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.599 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.6 t0 -162.66 142.64 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.15 -74.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -122.43 -2.57 8.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.487 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -83.98 -15.49 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.003 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -36.83 108.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.433 ' CG2' ' HG3' ' A' ' 55' ' ' ARG . 3.3 tp -134.28 156.6 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -132.77 140.67 48.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -157.32 160.75 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -103.45 149.9 24.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -152.73 168.75 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.26 61.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.4 ttmt 179.16 138.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -91.23 -47.06 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -31.71 92.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -40.22 -34.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.0 OUTLIER -99.88 -25.29 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -71.28 -67.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -54.79 -30.34 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 20.2 ttp -47.38 -40.85 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.6 tm-20 -101.2 -43.27 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.42 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -53.16 -27.55 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.06 -11.6 56.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' GLU . 1.8 tptt -91.68 -28.39 17.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.1 -56.45 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 40.3 tp60 -83.25 -43.23 16.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.46 -19.5 4.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -55.06 -46.19 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.2 mm-40 -90.6 -8.13 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm 39.65 29.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 m-20 -97.11 -10.04 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.509 ' OG ' ' CG ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -116.75 121.34 41.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.58 33.22 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -110.92 101.32 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.25 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.653 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -104.52 115.32 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' GLU . 2.3 pp -161.27 -179.32 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 3.9 t80 -117.12 -39.59 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.91 -68.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.75 36.39 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.01 48.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.07 49.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.502 ' CD1' HD12 ' A' ' 70' ' ' ILE . 1.1 pt -105.32 167.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' N ' HE21 ' A' ' 73' ' ' GLN . 0.4 OUTLIER -132.33 -178.83 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -95.21 -99.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -86.63 45.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.508 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.8 tm0? -71.84 -2.85 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.79 143.46 31.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.2 Cg_endo -74.96 -16.7 20.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' CE ' ' A' ' 83' ' ' MET . 67.7 mt-10 -95.78 -27.05 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLU . 13.4 t70 -76.68 -48.82 17.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.506 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.0 pp -53.86 -43.35 69.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -22.83 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.494 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.73 -82.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.1 tt0 -60.29 161.88 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.61 82.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.8 t30 -176.91 89.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 44.9 m-20 -81.72 116.45 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.565 ' C ' ' CD1' ' A' ' 88' ' ' ILE . 0.3 OUTLIER -154.24 136.24 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 88' ' ' ILE . 4.2 mt -152.46 178.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.2 tt0 -120.68 139.88 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.713 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -130.06 94.7 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -84.92 -179.13 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.36 149.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.9 tt0 -156.63 79.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.13 128.9 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -155.13 153.54 30.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.413 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -91.01 117.46 29.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' O ' ' O ' ' A' ' 39' ' ' ILE . 3.4 pt -155.94 -178.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.1 p30 -105.74 151.93 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -120.13 140.63 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -132.72 110.43 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 2.4 m -99.31 117.27 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -110.23 128.29 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' HD2' ' N ' ' A' ' 31' ' ' GLY . 10.0 t70 -144.51 155.99 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' N ' ' HD2' ' A' ' 30' ' ' ASP . . . -25.74 -65.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -4.97 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.533 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -100.65 99.2 9.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -132.97 114.47 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CB ' ' HG3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -135.22 148.96 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -136.5 127.34 27.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -153.81 161.04 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 7.9 mttt -102.17 137.2 40.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.522 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.7 mp -136.85 169.79 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.27 59.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.3 mtmt -175.25 128.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.508 ' HA ' ' CG1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -84.74 -41.49 16.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.5 t -33.21 97.07 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.673 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.3 Cg_endo -74.97 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.5 pt? -37.94 -57.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 21.3 mmt85 -72.29 -38.68 68.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.75 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -41.27 -40.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -38.51 -42.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.5 tt0 -100.72 -51.56 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.45 -65.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.45 -19.57 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.08 -2.71 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' GLU . 32.0 mmtt -99.45 -24.13 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HG3' ' CB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.55 -46.84 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -100.34 -36.87 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.88 -17.69 16.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -56.88 -33.59 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.03 -13.99 26.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.99 29.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -100.04 -10.26 21.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -125.47 128.18 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.74 39.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' HIS . 36.5 ttt85 -123.08 82.67 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 35.7 p90 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.509 ' O ' ' O ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -157.39 155.67 30.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' ILE . 14.3 t80 -100.7 -41.81 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.18 -75.53 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.41 32.77 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.54 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -152.28 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 39.03 58.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.523 ' CG2' HG12 ' A' ' 70' ' ' ILE . 1.1 pt -117.75 165.43 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.466 ' CG ' HG22 ' A' ' 89' ' ' ILE . 7.4 mp0 -136.57 -177.58 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.37 -91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -83.64 47.98 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' A' ' 73' ' ' GLN . 2.1 tt0 -62.81 -9.26 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.522 ' CG2' ' HD2' ' A' ' 78' ' ' PRO . 3.0 m -103.88 147.13 33.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.558 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -75.03 -15.9 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.1 mt-10 -90.83 -21.34 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -86.85 -42.21 13.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.1 pp -64.45 -38.57 91.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.39 -19.77 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.7 mtm -100.51 -78.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 174.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.6 84.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 22.5 p-10 -174.59 95.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' OD2' ' CB ' ' A' ' 47' ' ' ARG . 9.7 t0 -93.32 84.33 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -124.82 128.93 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.484 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 7.5 mt -143.43 170.88 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' LEU . 4.1 tt0 -120.69 130.31 54.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -102.54 145.33 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -132.39 -179.36 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.55 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 1.3 mmm-85 -100.31 143.27 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 3.3 mm-40 -160.09 79.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -159.6 98.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -160.49 140.44 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.548 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -83.84 122.49 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -150.45 -178.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 2.7 p-10 -103.78 141.42 36.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -119.61 158.58 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -148.72 128.41 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -109.63 131.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -122.57 117.5 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -132.83 166.62 21.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.27 -73.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -2.9 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -99.12 100.17 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.34 116.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 tp -144.1 156.54 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -132.99 130.08 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -144.1 160.88 40.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.26 134.05 41.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.7 mp -132.87 165.6 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.473 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -98.67 59.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' CD ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 179.34 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.449 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -86.16 -41.68 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -36.23 98.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HA ' ' HB2' ' A' ' 47' ' ' ARG . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 46' ' ' ARG . 2.2 pt? -44.81 -54.51 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.9 mtt180 -73.98 -38.62 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 4.1 mmp_? -62.69 -77.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.75 -38.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -39.98 -44.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -101.22 -40.66 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' LYS . . . -51.24 -65.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -51.05 -39.93 57.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -76.14 -3.77 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 tptt -88.1 -29.47 20.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -61.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.69 -40.24 34.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -52.34 -18.63 5.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -100.25 -12.21 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.6 29.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -100.52 -13.18 18.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.494 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 56.3 m -124.93 128.95 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 14.37 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' HIS . 28.9 ttt180 -91.08 84.83 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 45.7 p90 -81.6 121.84 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -157.34 165.94 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' ILE . 13.5 t80 -108.95 -43.89 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.77 -69.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.45 35.53 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -153.58 49.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER 36.69 44.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CD1' HD13 ' A' ' 70' ' ' ILE . 2.4 pt -102.12 170.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 1.7 mt-30 -128.67 173.42 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -82.71 -80.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -110.33 42.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 73' ' ' GLN . 2.5 tm0? -63.66 -15.04 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.6 m -71.58 138.27 83.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.372 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.0 -9.02 20.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -24.59 14.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -79.72 -47.63 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 3.9 pp -53.55 -40.3 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -21.58 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 mtm -98.29 -83.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.69 164.49 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.418 ' C ' HD11 ' A' ' 24' ' ' ILE . 7.5 p-10 -134.21 80.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.552 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 8.8 t-20 -178.25 100.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.67 92.99 6.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -129.02 134.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 44' ' ' PRO . 3.1 mt -150.49 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' O ' ' O ' ' A' ' 66' ' ' LEU . 3.7 tp10 -114.49 136.56 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -111.01 108.48 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -98.48 171.76 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.6 148.56 23.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 2.0 tt0 -161.08 78.91 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -156.22 79.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CD1' ' C ' ' A' ' 96' ' ' ILE . 1.4 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.866 HG23 HG23 ' A' ' 24' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CG ' ' CD ' ' A' ' 40' ' ' LYS . 1.5 t60 -90.44 103.54 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.866 HG23 HG23 ' A' ' 22' ' ' THR . 4.1 pt -138.7 -177.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 15.5 p-10 -104.02 151.98 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.832 HD12 ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -118.66 147.56 43.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.89 111.34 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.97 124.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 60.2 m -116.15 143.52 45.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.59 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 164.29 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.59 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.14 -73.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.91 -3.3 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 9.6 t -94.01 103.98 16.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -134.52 111.72 10.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -127.95 144.9 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -137.46 122.6 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -155.12 161.04 41.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 13.0 mttt -91.89 146.21 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.6 mp -142.08 151.07 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' CD ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -90.63 58.13 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 177.64 127.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.798 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.87 -41.77 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -33.56 94.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.949 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.01 -54.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -37.05 -53.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -72.25 -35.71 68.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.57 -77.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.37 -39.45 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -43.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.7 tt0 -101.42 -52.09 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -41.77 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.707 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -49.97 -44.51 50.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -70.07 -5.9 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -92.96 -25.4 18.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.05 -57.18 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.4 tp60 -87.52 -42.69 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -40.41 -26.85 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLN . 13.9 tttt -53.85 -39.98 66.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.3 tt0 -89.28 -14.46 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 tpt 37.99 29.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.02 -11.22 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.566 ' C ' HD23 ' A' ' 63' ' ' LEU . 18.4 p -117.25 122.73 44.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.93 32.72 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -106.11 102.75 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -98.85 106.81 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -153.25 174.32 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.788 ' N ' HD12 ' A' ' 66' ' ' LEU . 9.7 t80 -110.52 -48.64 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -117.04 -68.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.46 42.22 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.158 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.69 42.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 20.6 ptt180 42.2 49.7 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.41 173.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.824 ' OE1' HD13 ' A' ' 89' ' ' ILE . 20.5 mt-30 -140.56 -179.61 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 88' ' ' ILE . . . -87.97 -68.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -126.83 45.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.789 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -65.16 -8.39 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.0 m -92.26 136.16 26.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.07 -6.57 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -99.96 -11.61 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.4 t0 -95.55 -44.5 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.681 HD13 HG23 ' A' ' 42' ' ' THR . 3.7 pp -56.07 -40.78 74.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -27.7 63.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 mtm -100.62 -74.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.0 tp10 -60.4 166.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.526 ' CB ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -147.28 84.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 5.6 t-20 -175.56 94.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.832 ' OD1' HD12 ' A' ' 26' ' ' LEU . 34.8 t0 -84.28 113.15 20.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.93 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.36 129.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.949 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 89' ' ' ILE . 14.9 tt0 -116.96 139.4 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -121.89 94.51 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.68 -179.45 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.608 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -102.83 143.55 32.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.705 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.0 m-70 -86.0 128.19 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.96 ' O ' HD13 ' A' ' 39' ' ' ILE . 23.8 pt -156.94 -178.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 8.5 p30 -97.68 148.38 23.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.938 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -127.19 141.35 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -137.11 116.61 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -99.42 121.3 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -96.4 108.34 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.2 t0 -135.27 142.78 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.46 -73.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -120.84 -3.57 9.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -89.92 -0.07 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 6.8 pt-20 -49.78 108.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.41 149.0 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.96 126.46 25.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 12.1 p90 -160.82 161.33 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 1.1 mptt -89.7 152.45 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -146.96 170.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.0 mmtp -106.4 62.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 178.88 140.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.705 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -92.46 -54.84 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -30.19 91.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.91 -46.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.94 -41.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -93.59 -26.46 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.938 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.62 -66.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.4 -37.17 64.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -38.88 9.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -100.73 -42.6 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.3 -66.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.9 -29.42 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.6 -0.7 57.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -98.12 -24.17 15.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -48.1 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 5.6 tp60 -98.14 -39.1 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.93 -19.46 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -59.57 -33.97 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -94.91 -10.45 31.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.48 29.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -10.46 21.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -124.12 127.28 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.56 16.06 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' HIS . 15.2 ttt180 -88.64 96.01 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 42.1 p90 -98.05 111.76 23.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -160.47 161.71 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.9 t80 -103.94 -42.98 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.991 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.9 m-20 -116.08 -75.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.11 46.99 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -160.37 30.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER 54.38 48.21 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.8 pt -107.63 169.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 7.7 mp0 -135.02 179.53 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.04 -90.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -103.69 46.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.882 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.9 tm0? -62.98 -10.98 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.558 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.8 m -73.25 142.09 81.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.007 ' HA ' HD23 ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.04 -13.37 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.5 -29.85 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 39.1 t0 -74.45 -18.44 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.007 HD23 ' HA ' ' A' ' 78' ' ' PRO . 2.0 pp -72.98 -44.86 60.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.35 -9.89 59.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -83.78 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.77 163.99 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.55 83.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 29.5 t-20 -177.05 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.872 ' OD1' HD11 ' A' ' 24' ' ' ILE . 58.9 m-20 -82.61 121.89 27.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.936 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.74 125.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 48' ' ' LEU . 9.2 mt -148.23 159.43 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.4 tt0 -104.64 132.66 50.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -117.51 97.68 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -90.49 -179.44 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.581 ' CD ' ' C ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.29 150.41 20.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' HG23 ' A' ' 22' ' ' THR . 1.3 t60 -120.85 107.49 12.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.807 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.6 pt -149.02 -179.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.8 p30 -101.02 166.95 10.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.34 145.04 40.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 16.0 tptt -138.4 115.59 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -102.24 123.35 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.5 m -113.04 134.66 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.2 m-20 -149.68 159.34 44.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.582 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.52 -73.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.38 -4.83 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 4.3 t -101.49 106.47 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -145.83 129.54 17.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -145.56 157.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -137.44 126.63 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 35' ' ' ILE . 8.9 m-85 -148.5 160.84 42.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.794 ' C ' HD13 ' A' ' 39' ' ' ILE . 30.4 mttt -101.39 145.24 29.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -147.38 169.19 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -101.06 63.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 179.58 131.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -86.48 -42.18 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -35.62 94.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.907 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -41.74 -33.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -97.81 -25.66 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.75 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -51.41 -35.7 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -42.76 -41.5 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.9 tt0 -101.11 -48.3 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -45.08 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.876 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.0 -34.73 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 111.043 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 -3.0 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -97.81 -25.91 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -48.43 4.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' OE1' ' CB ' ' A' ' 33' ' ' SER . 34.4 tp60 -95.87 -41.46 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.61 -24.44 1.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.26 70.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' ASP . 4.6 tt0 -98.33 -11.43 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.7 ttm 37.79 29.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -96.45 -9.86 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.775 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.7 p -121.34 125.91 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.76 43.35 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -122.13 101.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 52' ' ' PHE . 24.0 m-85 -101.08 107.5 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.5 pp -160.08 165.77 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 1.1 t80 -104.17 -44.67 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.52 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -109.53 -74.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -177.43 40.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 69' ' ' GLY . 1.9 pp -158.14 32.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 62.89 52.7 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' A' ' 70' ' ' ILE . 60.6 mt -96.58 162.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' OE1' HD13 ' A' ' 89' ' ' ILE . 11.1 mt-30 -145.2 170.8 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.814 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.65 -87.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -107.89 44.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.681 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.0 tm0? -63.49 -9.02 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.448 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -102.16 155.27 36.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.69 -8.54 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.0 t0 -100.26 -41.06 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.609 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -74.0 -39.58 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.3 -17.94 60.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 83' ' ' MET . 22.2 ttp -100.75 -70.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.3 tp10 -75.18 165.26 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.14 83.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -176.33 92.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.807 ' OD1' HD11 ' A' ' 24' ' ' ILE . 63.0 m-20 -83.85 117.93 23.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.917 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 130.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.7 mt -151.68 171.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.476 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.1 tt0 -117.27 134.49 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.876 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -116.46 97.06 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.89 178.03 8.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -101.08 147.4 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.8 m-70 -89.38 121.84 32.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.055 HD11 ' OD1' ' A' ' 87' ' ' ASP . 28.3 pt -155.55 -179.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 21.7 p-10 -95.24 158.19 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -129.8 144.34 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -135.28 116.64 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 HG22 ' A' ' 35' ' ' ILE . 1.9 m -104.19 119.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 37.4 t -113.07 146.81 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.62 165.0 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.578 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -21.26 -71.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -3.58 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 2.7 t -94.72 107.04 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -138.51 106.96 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -129.69 147.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 4.1 p90 -134.32 132.31 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 35' ' ' ILE . 14.9 m-85 -155.53 160.89 40.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.37 144.69 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.569 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.1 mp -141.3 165.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 5.2 mmtt -102.05 59.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -88.98 -43.86 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.86 93.08 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.906 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.763 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -40.71 -57.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.3 mtt-85 -73.77 -38.63 64.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.2 mmp_? -55.97 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -45.27 -40.76 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.88 -42.29 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -100.53 -50.36 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -42.63 -67.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.709 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -54.75 -23.34 17.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -87.72 -9.78 53.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . 36.8 mmtt -89.26 -28.83 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 tp60 -80.55 -45.57 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.77 -27.41 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' GLN . 14.1 tttt -53.67 -44.72 69.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -84.75 -14.18 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 36.28 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -100.09 -9.48 22.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.705 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -119.96 122.67 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.73 41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -116.33 101.27 8.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -94.19 110.9 22.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -160.28 162.52 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' N ' HD12 ' A' ' 66' ' ' LEU . 65.8 t80 -101.53 -46.18 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -118.67 -69.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.77 46.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.575 1.172 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -159.43 34.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 25.9 mtm180 47.45 49.84 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.763 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -109.14 177.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.3 mp0 -142.11 179.38 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.86 -72.54 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 45.22 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.752 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.3 tm0? -63.85 -10.84 22.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.7 m -82.38 136.66 45.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.97 -11.09 21.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' CE ' ' A' ' 83' ' ' MET . 4.6 tt0 -100.46 -8.24 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 46.7 t0 -97.03 -43.3 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.584 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.6 pp -55.86 -43.17 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.57 ' N ' HD12 ' A' ' 81' ' ' LEU . 55.7 t0 -64.8 -20.26 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -98.77 -77.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tt0 -62.51 172.07 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 82.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -177.83 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.055 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.5 m-20 -91.64 117.17 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.948 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.47 127.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.2 mt -149.44 172.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.54 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -119.18 143.75 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.709 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -126.54 98.33 5.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.22 -179.35 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.638 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -96.02 147.24 23.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.0 m-70 -83.24 124.46 30.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' HIS . 46.0 pt -156.97 -179.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.8 p30 -97.93 161.62 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.48 142.64 39.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -135.6 120.55 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.23 123.84 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.5 p -118.17 139.46 51.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.37 164.46 29.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.61 -74.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.09 -3.28 9.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.769 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 14.6 t -94.15 101.73 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.72 117.08 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -137.21 137.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -129.37 120.45 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 3.6 m-85 -153.85 161.3 42.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 22.6 mttt -100.91 145.72 28.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.1 mp -139.11 167.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -99.25 58.86 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.9 mttt 179.42 140.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.834 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -89.11 -44.9 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.857 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.11 93.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.439 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -41.7 -36.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.26 -24.1 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 1.007 ' CG ' HD13 ' A' ' 26' ' ' LEU . 4.3 tpm_? -67.79 -68.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.813 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -53.09 -36.58 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -42.51 -41.82 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -38.84 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.17 -68.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 1.014 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -56.44 -16.86 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -94.64 -3.54 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.32 -21.73 17.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -50.31 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -100.35 -38.8 8.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -48.75 -22.46 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -55.77 -37.78 68.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.78 -13.61 33.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 45.9 29.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.31 -12.56 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.676 ' C ' HD23 ' A' ' 63' ' ' LEU . 1.7 p -117.36 123.21 45.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.56 38.78 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 23.6 ttt180 -114.52 101.22 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 49.2 p90 -104.07 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -160.26 164.36 32.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.655 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.3 t80 -109.21 -41.15 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.812 ' HB2' HD11 ' A' ' 72' ' ' ILE . 14.4 m-20 -110.59 -78.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.561 ' H ' HD13 ' A' ' 70' ' ' ILE . . . -175.89 37.14 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG12 HG23 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -148.98 25.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 8.6 mtm180 62.18 51.04 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 ' HB2' ' A' ' 68' ' ' ASP . 3.2 pt -110.15 168.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 89' ' ' ILE . 27.3 mt-30 -134.98 176.85 8.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.47 -87.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.11 47.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.766 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tm0? -66.73 -8.43 28.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.676 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -92.66 144.78 29.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.92 -10.87 21.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' SD ' ' A' ' 83' ' ' MET . 36.2 mt-10 -98.53 -10.51 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.9 t0 -101.63 -48.78 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.7 pp -57.52 -46.54 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.59 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.39 -11.99 60.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -100.35 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -69.93 163.25 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -131.95 82.49 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -176.92 88.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.571 ' C ' HG22 ' A' ' 88' ' ' ILE . 95.3 m-20 -83.19 121.33 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.885 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.3 127.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.9 mt -145.86 170.23 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 29' ' ' SER . 18.0 tt0 -114.57 143.87 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -119.11 153.73 34.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -149.61 -180.0 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.2 mmt-85 -99.8 141.47 32.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.726 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.52 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.25 122.16 25.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.4 pt -156.87 -179.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.8 p-10 -107.5 152.19 24.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 3.8 tptm -128.75 113.92 15.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.7 m -95.58 120.74 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 5.6 m -110.23 141.79 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.99 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -157.35 159.84 37.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.39 -67.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.525 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -121.53 -3.49 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -100.22 102.94 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.57 114.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.89 151.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.59 146.51 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -156.17 161.22 40.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 2.1 mttt -106.31 136.83 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -138.59 168.82 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' ' 23' ' ' HIS . 2.6 tppt? -99.54 58.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 178.41 142.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.726 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.81 -45.57 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.684 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -27.34 88.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 1.012 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.33 -43.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -91.04 -27.75 18.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.785 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.41 -69.83 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.97 -38.21 49.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -42.02 -44.35 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.78 -36.82 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -59.74 -63.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.72 -17.06 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -100.15 0.01 39.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -24.92 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -55.38 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -90.54 -38.2 13.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -47.77 -22.41 1.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.96 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -13.37 30.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.1 tpp 42.81 29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.82 -10.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.641 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.91 122.94 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.04 34.65 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -110.34 101.18 9.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 29.9 p90 -98.66 116.15 30.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -160.6 167.99 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.806 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -108.79 -48.94 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.27 -68.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.15 42.85 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -158.34 44.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER 39.17 51.3 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -110.92 173.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.741 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-30 -136.3 175.54 9.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.94 -90.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -96.48 42.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.744 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.4 tm0? -68.47 -6.36 24.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.6 m -95.87 143.59 26.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.04 -16.29 20.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.76 -8.85 42.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' GLU . 7.8 t70 -100.4 -51.98 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.4 pp -55.16 -39.42 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.11 -19.54 64.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttp -100.89 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' ASP . 5.0 tp10 -65.02 166.33 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.26 95.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.692 ' OD1' HD11 ' A' ' 24' ' ' ILE . 97.5 m-20 -86.27 118.82 25.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.897 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.37 129.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.012 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.2 mt -151.06 174.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.57 ' H ' HG22 ' A' ' 89' ' ' ILE . 8.2 tt0 -124.32 140.35 53.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.99 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -126.45 99.01 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.43 -179.36 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.632 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.5 OUTLIER -96.39 149.11 22.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.773 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -81.08 125.54 30.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.616 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 13.9 pt -157.26 179.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 11.5 p30 -93.54 161.29 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.795 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -133.78 150.39 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -144.43 108.15 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 26' ' ' LEU . 1.5 m -93.23 118.71 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -94.52 105.57 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.6 t0 -131.29 143.5 50.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.59 -75.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.11 -2.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.041 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' OG ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -90.9 3.44 54.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 23.9 pt-20 -55.31 123.86 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.59 155.87 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 2.5 p90 -132.71 138.24 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -154.11 160.57 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -91.92 142.29 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.633 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.4 mp -141.33 166.96 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.634 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.2 mmmm -102.67 59.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.5 mttt 178.07 140.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.773 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.03 -42.17 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.75 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.93 94.65 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 1.003 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -29.62 8.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.6 pt? -61.1 -52.61 64.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.8 mmm180 -78.26 -35.2 48.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 8.0 mmp_? -60.88 -75.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -43.04 -41.2 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -38.2 -39.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER -100.59 -57.59 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.03 -29.06 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.17 -1.41 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.4 mmtt -100.0 -26.55 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -49.37 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 13.7 tp60 -87.61 -35.66 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.74 -14.94 17.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -49.02 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 61' ' ' ASP . 35.7 mt-10 -86.18 -10.81 54.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt 41.07 27.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 59' ' ' GLU . 1.9 m-20 -100.75 -9.19 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 1.4 m -120.43 123.68 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.31 26.59 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 27.7 ttt180 -103.6 84.94 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 52.0 p90 -86.38 119.05 26.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -160.5 164.85 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.8 t80 -110.4 -39.15 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.939 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -114.31 -74.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.579 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.99 35.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.704 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.46 37.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 16.9 mtm105 48.99 56.64 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.939 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -117.31 171.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -129.11 -179.85 5.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.19 -79.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -112.83 45.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.588 ' HG2' HD13 ' A' ' 45' ' ' LEU . 1.2 tm0? -62.33 -12.49 21.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.66 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -82.6 144.91 49.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.94 -13.43 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.556 ' O ' ' HE1' ' A' ' 83' ' ' MET . 3.9 tt0 -93.46 -25.05 17.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.2 t70 -83.14 -49.5 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 43' ' ' THR . 4.1 pp -61.85 -43.96 97.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 42.1 t0 -58.7 -29.44 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -94.2 -77.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -59.71 170.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -146.27 84.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -176.85 94.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.795 ' OD2' HD12 ' A' ' 26' ' ' LEU . 18.2 t0 -85.71 119.89 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.89 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.56 129.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.3 mt -152.14 169.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.524 ' HG2' ' CE1' ' A' ' 92' ' ' HIS . 2.1 tp10 -110.34 127.9 55.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -107.04 94.64 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.26 -177.8 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -124.36 153.34 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.809 HG22 ' HB ' ' A' ' 42' ' ' THR . 1.6 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -97.53 116.07 29.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.583 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CG ' ' A' ' 87' ' ' ASP . 4.2 pt -154.9 -179.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 12.1 p30 -111.17 155.01 23.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.886 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -124.95 145.36 49.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.91 112.92 10.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -98.83 120.4 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 28.5 p -109.8 141.6 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 31' ' ' GLY . 13.1 t0 -160.07 157.13 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -24.99 -67.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.16 -4.37 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -100.9 100.6 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 4.3 pt-20 -137.49 116.92 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -134.25 150.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -138.12 130.5 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -154.9 160.75 41.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -119.68 133.19 55.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.749 HG22 ' H ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -141.19 -179.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -99.38 71.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.627 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 2.1 mtmt 178.32 133.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.809 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -93.3 -44.95 8.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.593 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -30.85 90.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.98 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.4 pt? -33.64 -54.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -76.34 -35.09 58.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.886 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.81 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -47.74 -41.6 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttp -39.93 -44.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -42.11 6.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -56.8 -64.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.99 -17.09 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -99.62 0.56 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -94.98 -24.27 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -49.85 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 4.6 tp60 -99.05 -35.28 10.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -60.78 -13.53 32.91 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -35.3 71.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.46 -11.6 31.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.27 28.7 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.58 -12.44 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.622 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -120.75 125.72 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -140.38 31.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 50.5 ttt180 -107.79 100.44 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 17.9 p90 -104.73 118.78 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.4 pp -156.14 -179.91 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.847 ' N ' HD12 ' A' ' 66' ' ' LEU . 47.9 t80 -114.58 -48.82 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -119.0 -67.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.39 42.87 0.13 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.068 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -159.17 46.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.1 50.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.816 HD13 HD11 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -109.0 170.41 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.784 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.5 mp0 -140.76 -179.59 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.89 -99.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.49 45.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.696 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.66 -11.99 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.754 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -88.83 146.94 37.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.02 -9.97 20.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HE2' ' A' ' 83' ' ' MET . 0.3 OUTLIER -97.34 -21.64 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.8 t0 -89.64 -55.45 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 42' ' ' THR . 4.5 pp -50.5 -42.45 54.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -68.0 -27.3 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.484 ' HE2' ' O ' ' A' ' 79' ' ' GLU . 6.9 mtm -93.5 -82.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ASP . 20.6 tp10 -58.98 160.46 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -134.71 83.33 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -176.42 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.831 ' CG ' HD11 ' A' ' 24' ' ' ILE . 82.8 m-20 -85.22 119.97 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.901 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.19 130.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.784 HD13 ' HG2' ' A' ' 73' ' ' GLN . 3.8 mt -146.7 171.26 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.9 tt0 -117.94 129.93 55.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -102.97 156.21 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -147.17 -179.58 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.0 mmt-85 -106.61 139.17 41.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.768 HG23 HG23 ' A' ' 24' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 1.7 t60 -113.95 113.34 24.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.571 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.046 HD11 ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -151.31 -179.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 46.4 p-10 -98.54 157.82 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -131.36 141.45 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -135.53 115.15 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -103.05 124.37 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -108.81 145.41 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' HG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER -159.99 157.5 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -26.77 -67.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -121.59 -3.64 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.531 ' HG ' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.54 108.86 21.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.77 110.43 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -120.26 141.37 40.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -143.3 117.51 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -159.03 161.7 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 20.8 mttt -93.38 142.45 27.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.8 mp -137.44 166.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -101.19 59.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 129.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.66 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.38 -40.57 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -35.8 96.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.37 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.974 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -36.89 -55.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.3 mtt85 -68.87 -38.31 79.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.595 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -40.37 -37.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -43.04 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -100.41 -40.82 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -52.78 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CZ ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.49 -22.72 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -89.91 -5.19 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' GLU . 12.3 mttt -94.18 -22.6 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -90.62 -39.9 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -43.9 -25.57 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.53 -31.1 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -13.85 24.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 40.83 29.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 -9.52 27.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.726 ' C ' HD23 ' A' ' 63' ' ' LEU . 64.1 p -120.36 128.0 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.83 38.44 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -119.11 101.58 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 77.7 m-85 -90.73 118.54 30.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 68' ' ' ASP . 2.7 pp -160.46 161.78 32.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.454 ' CE1' HD11 ' A' ' 88' ' ' ILE . 11.6 t80 -110.66 -25.96 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.764 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -123.95 -73.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -178.74 35.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 69' ' ' GLY . 2.1 pp -159.94 37.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 0.6 OUTLIER 60.66 52.73 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 68' ' ' ASP . 59.6 mt -97.81 163.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -139.01 164.96 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.488 ' CB ' HD13 ' A' ' 88' ' ' ILE . . . -89.64 -84.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -119.56 45.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 45' ' ' LEU . 6.5 mt-30 -68.14 -7.14 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -80.58 142.3 53.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -74.98 -8.64 20.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.98 -12.0 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.242 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.6 t70 -94.42 -28.51 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 42' ' ' THR . 2.7 pp -76.1 -39.13 55.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -66.29 -29.43 69.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -75.93 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.5 tp10 -58.87 168.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -146.59 83.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.717 ' N ' HD12 ' A' ' 24' ' ' ILE . 35.8 t30 -176.05 100.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.046 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.8 m-20 -94.55 116.78 29.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.896 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.14 125.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.974 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.1 mt -152.61 174.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' H ' HG22 ' A' ' 89' ' ' ILE . 5.2 mt-10 -126.12 147.59 49.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.695 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -132.93 99.27 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.93 -179.93 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.629 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -88.53 151.22 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.869 HG23 HG23 ' A' ' 24' ' ' ILE . 1.2 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -81.08 114.65 20.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.632 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.954 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.2 pt -152.7 -179.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 17.0 p-10 -108.81 161.7 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.21 143.92 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.9 114.07 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -97.81 122.33 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -115.14 136.67 52.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.886 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 2.8 m-20 -151.53 157.46 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.6 -72.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -121.17 -4.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -100.42 102.14 13.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -132.04 122.35 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -138.93 163.92 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.4 p90 -149.9 138.98 21.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -157.35 161.07 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 13.7 mttt -103.37 140.09 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 39' ' ' ILE . 1.9 mp -141.17 149.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -81.84 58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 142.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.745 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.58 -42.98 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.543 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -29.16 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.909 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -46.72 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -39.13 -37.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -25.92 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.905 ' CG ' HD13 ' A' ' 26' ' ' LEU . 1.5 tpm_? -65.23 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.63 -40.48 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -41.01 -40.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.0 tt0 -100.57 -48.52 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -49.37 -66.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.62 -20.19 12.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.21 -7.68 44.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -93.16 -29.41 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -100.69 -57.07 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.73 -43.57 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.91 -25.82 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -54.14 -41.81 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.3 mt-10 -90.37 -12.23 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 25.4 ptp 36.24 31.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . 10.9 m-20 -98.73 -12.96 20.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -120.99 126.1 49.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.84 38.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CD ' ' HG3' ' A' ' 94' ' ' GLU . 20.3 ttt180 -111.13 100.68 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 44.2 p90 -85.19 101.7 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.053 HD11 ' HA2' ' A' ' 69' ' ' GLY . 2.6 tt -136.21 151.87 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' N ' HD23 ' A' ' 66' ' ' LEU . 5.3 t80 -116.91 -39.33 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 111.061 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.581 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -123.54 -70.83 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 1.053 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -172.38 45.0 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.83 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.62 43.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.9 mtm180 40.33 50.69 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 170.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 5.7 mp0 -124.33 175.62 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.51 -99.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -89.31 42.78 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.9 tm0? -67.41 -6.86 21.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.632 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.8 m -97.51 143.85 26.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.3 mt-10 -88.69 -11.63 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 -100.19 -57.42 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -51.11 -40.08 57.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.21 -26.15 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -100.39 -77.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -58.77 165.88 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -142.35 83.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.44 97.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.954 ' OD1' HD11 ' A' ' 24' ' ' ILE . 70.7 m-20 -88.12 117.86 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.889 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.27 129.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -150.54 168.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -117.26 133.43 55.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -113.5 95.05 5.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -79.29 -178.79 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -94.73 141.13 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.471 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.861 HG23 HG23 ' A' ' 24' ' ' ILE . 1.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.616 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.6 m-70 -92.76 113.87 26.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.0 HD11 ' OD2' ' A' ' 87' ' ' ASP . 6.3 pt -148.09 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.9 p30 -100.11 159.3 15.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -130.36 142.38 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 111.99 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -102.6 121.9 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.0 p -117.07 144.55 44.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 166.47 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.17 -73.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -3.28 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 43.5 t -97.42 100.36 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -139.1 108.72 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.586 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -136.34 146.59 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -129.01 126.04 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 -148.04 161.09 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -85.73 151.51 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -145.67 160.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.616 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtt -101.6 57.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HG2' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER 175.96 133.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.792 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.59 -43.83 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -34.21 93.64 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.987 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.1 pt? -43.24 -33.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -96.79 -24.87 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -73.22 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.66 -33.66 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.2 ttp -45.39 -42.47 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.0 tt0 -100.28 -45.09 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -50.74 -66.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.662 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.5 -18.22 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.37 -5.41 36.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.6 mmtp -95.96 -27.67 15.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -50.31 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 10.8 tp60 -91.6 -40.36 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.64 -19.35 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -58.01 -26.7 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -12.16 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 44.69 28.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -100.35 -10.65 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.747 ' C ' HD23 ' A' ' 63' ' ' LEU . 11.1 t -107.53 112.89 25.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.34 40.81 3.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 3.2 ttm180 -143.92 81.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.2 p90 -81.63 119.24 23.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -150.69 157.91 43.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.4 t80 -103.89 -41.94 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.841 ' HB2' HD11 ' A' ' 72' ' ' ILE . 6.4 m-20 -110.15 -75.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.64 32.95 0.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.82 48.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.9 57.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -116.08 171.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.978 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.3 mt-30 -134.45 178.78 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.74 -88.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -95.49 40.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.781 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm0? -65.72 -11.78 48.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.721 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.3 m -80.39 145.72 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.721 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.02 -11.67 21.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -32.08 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.7 t70 -69.9 -40.21 75.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 42' ' ' THR . 3.6 pp -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.25 -20.03 65.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtm -100.4 -81.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.4 tp10 -62.82 163.89 8.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.83 83.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.587 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -175.79 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.0 ' OD2' HD11 ' A' ' 24' ' ' ILE . 15.1 m-20 -86.92 120.22 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.879 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.8 129.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.987 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.2 mt -152.26 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.491 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.5 tt0 -119.57 137.13 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.662 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -106.29 100.86 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -80.18 159.71 25.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.53 150.25 21.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.756 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -79.48 120.51 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.5 pt -153.8 -179.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 36.3 p-10 -97.22 169.48 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.933 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.31 143.71 40.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -132.46 115.84 16.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 35' ' ' ILE . 1.4 m -104.34 120.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 64.4 p -115.28 144.97 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.17 164.91 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -22.13 -71.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.38 -3.08 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -95.09 105.83 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.881 ' H ' HH21 ' A' ' 55' ' ' ARG . 10.1 pt-20 -138.1 109.64 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.798 HG22 HG22 ' A' ' 28' ' ' VAL . 4.8 tp -134.07 156.66 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 3.0 p90 -138.17 131.68 30.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -147.72 160.98 42.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 6.3 mtpt -107.7 140.96 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 40' ' ' LYS . 2.8 mp -139.5 171.58 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -103.5 59.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER 179.36 143.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.756 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.43 -42.33 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.54 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -31.4 93.12 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -39.33 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -95.96 -26.46 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.933 ' CG ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -66.58 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.66 -38.98 82.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' MET . 2.6 tpt -41.92 -42.49 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.2 tt0 -100.12 -45.64 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.537 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -51.97 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.2 -24.65 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.71 -4.38 55.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' GLU . 7.0 tptt -91.88 -29.1 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.881 HH21 ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -101.85 -57.34 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 14.2 tp60 -82.38 -38.39 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.92 -16.86 6.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -60.05 -35.92 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.87 -0.86 53.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.512 ' O ' HD21 ' A' ' 63' ' ' LEU . 2.1 mmt 38.38 29.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' GLU . 9.8 t70 -100.92 -9.44 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.669 ' C ' HD23 ' A' ' 63' ' ' LEU . 40.9 t -102.58 103.04 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.669 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -129.44 38.66 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 1.7 ttt180 -138.85 80.7 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 26.4 p90 -82.43 119.75 24.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -160.02 158.42 30.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -102.03 -42.17 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.792 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -116.84 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.53 41.56 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.567 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -157.45 40.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 6.1 ptt180 43.92 48.75 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.1 pt -105.08 173.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.972 ' HG2' HD13 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -137.17 -179.87 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.14 -88.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.62 44.76 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.662 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.3 tm0? -65.66 -9.53 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.9 m -92.64 146.21 31.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.739 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -13.72 21.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.86 -9.74 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.13 -42.77 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.0 pp -66.47 -38.85 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -73.68 -12.64 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 84' ' ' GLU . 3.9 ttp -101.26 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -89.56 177.51 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.78 83.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 24' ' ' ILE . 9.1 t-20 -177.14 98.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.0 m-20 -87.65 120.04 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.898 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.54 128.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.972 HD13 ' HG2' ' A' ' 73' ' ' GLN . 2.3 mt -150.9 172.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.534 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.3 tt0 -117.13 136.5 52.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.437 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -111.81 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.508 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 1.7 m80 -83.87 155.02 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.622 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.2 mmm-85 -97.04 143.46 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.846 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.3 m-70 -85.21 121.34 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.0 pt -158.1 -178.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.7 p-10 -110.44 149.41 30.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.831 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -116.48 143.43 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 6.6 tptm -135.87 111.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -97.29 122.08 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.0 m -112.07 143.15 43.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.076 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.912 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 m-20 -158.05 160.04 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.54 -74.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.544 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -121.68 -3.82 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 2.9 t -100.4 109.22 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 128.39 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.95 151.42 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 1.3 p90 -135.84 132.87 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -151.88 161.06 43.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.865 ' C ' HD12 ' A' ' 39' ' ' ILE . 10.1 mmtt -102.01 145.27 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.2 mp -146.32 161.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -94.88 59.22 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 22.0 pttt -179.96 142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.846 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.08 -47.58 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -27.8 90.14 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.766 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -38.56 -39.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -92.9 -27.09 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -68.08 -69.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -51.34 -38.13 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -41.21 -42.52 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -42.25 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.87 -66.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.835 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.79 -16.87 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 0.15 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -97.05 -25.52 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -51.19 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 34.4 tp60 -94.24 -40.19 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.3 -23.14 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -31.87 68.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -99.75 -11.0 21.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.17 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -95.06 -9.74 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.711 ' C ' HD23 ' A' ' 63' ' ' LEU . 9.1 p -116.85 124.72 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.48 39.67 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -119.49 100.79 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 48.3 p90 -99.76 114.3 27.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -160.41 172.11 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.932 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.6 t80 -116.61 -48.83 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.9 m-20 -107.11 -74.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' C ' HG23 ' A' ' 70' ' ' ILE . . . -174.71 37.12 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.71 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -153.47 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 ptt180 43.6 56.68 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -114.95 164.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' OE1' HD13 ' A' ' 89' ' ' ILE . 15.3 mt-30 -127.06 178.37 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.97 -76.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -118.44 46.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.812 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -65.68 -9.65 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.1 m -77.33 144.31 70.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.641 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.61 -44.9 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 26.9 t0 -53.95 -38.11 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 42' ' ' THR . 3.5 pp -60.03 -40.9 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 81' ' ' LEU . 27.4 t0 -70.43 -17.19 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.534 ' CE ' ' HA ' ' A' ' 83' ' ' MET . 11.5 mmt -100.79 -79.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -59.77 161.98 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.81 82.72 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -176.96 93.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.601 ' C ' HG22 ' A' ' 88' ' ' ILE . 2.8 m-20 -82.54 116.03 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.949 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 128.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.8 mt -148.64 171.34 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.4 tt0 -120.88 133.31 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.912 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -120.72 94.54 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.76 177.38 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -98.46 147.53 24.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' NE ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.907 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 3.9 m-70 -85.51 124.7 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.999 HD11 ' OD2' ' A' ' 87' ' ' ASP . 25.5 pt -156.65 -179.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.5 p-10 -97.64 155.63 16.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -127.01 144.77 50.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 110.28 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.1 m -95.54 121.53 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -101.05 106.55 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' GLY . 16.5 t0 -132.08 147.83 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.21 -76.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -121.1 -2.65 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -85.44 -10.95 55.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -40.44 112.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 158.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.15 141.4 50.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -157.65 160.71 38.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -102.77 140.82 36.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.4 mp -140.33 167.59 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.69 59.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mtmt 179.17 136.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.907 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.8 OUTLIER -84.82 -40.69 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -30.48 93.23 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.5 pt? -55.46 -50.62 69.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 28.8 mtt180 -79.1 -33.05 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.6 mmp_? -62.17 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -42.01 -37.22 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttp -41.9 -41.67 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.9 tt0 -100.45 -46.74 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -44.87 -68.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -54.44 -25.06 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.08 -3.14 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.3 tptt -97.48 -28.55 13.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -49.07 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 13.8 tp60 -93.0 -41.88 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.54 -23.9 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -48.25 66.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.77 -12.81 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.85 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.79 -9.07 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 93' ' ' ARG . 4.8 m -126.73 131.17 51.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 19.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 3.5 ttp180 -97.72 80.51 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 24.8 p90 -84.53 121.8 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 pp -157.47 159.6 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' N ' HD12 ' A' ' 66' ' ' LEU . 21.1 t80 -98.13 -42.42 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.31 -67.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.55 40.27 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -156.7 45.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 37.83 50.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 178.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HG2' HD13 ' A' ' 89' ' ' ILE . 6.3 mp0 -138.4 -179.48 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.88 -89.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -103.01 45.37 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.07 -18.16 63.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -75.67 144.17 76.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -8.82 20.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 -9.11 22.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.3 t70 -100.81 -41.2 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.709 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.1 pp -67.89 -43.59 78.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -17.57 64.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -76.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.7 tt0 -68.22 169.04 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -140.59 83.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.85 95.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.999 ' OD2' HD11 ' A' ' 24' ' ' ILE . 8.3 m-20 -88.48 122.18 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.9 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.73 129.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.6 mt -151.02 170.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.487 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -110.92 130.83 55.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -109.62 111.07 22.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.406 ' C ' ' HB3' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -100.9 -179.64 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.497 ' CB ' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -103.05 153.01 20.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.482 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.872 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 4.4 m-70 -85.72 122.49 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.014 HD11 ' OD1' ' A' ' 87' ' ' ASP . 37.5 pt -156.51 178.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.8 p30 -91.62 159.83 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -133.27 140.97 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -136.23 117.87 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -104.82 121.32 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 4.9 m -112.55 141.14 46.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.01 163.24 31.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -23.48 -69.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.87 -3.24 9.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -93.66 101.78 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 3.6 pt-20 -133.5 110.05 9.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -130.91 144.21 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -137.46 117.11 13.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.68 161.1 42.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.3 143.86 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' LYS . 3.1 mp -139.26 166.75 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 23' ' ' HIS . 4.3 mmtp -102.96 58.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 22' ' ' THR . 7.7 mtpt 178.35 133.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.872 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -82.65 -44.24 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.42 91.57 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.362 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.925 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -33.44 -54.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -37.7 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -57.04 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -47.15 -37.21 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -41.44 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.1 -46.59 4.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.6 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.46 -19.9 6.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.41 -6.43 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -90.18 -27.74 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.71 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 1.4 tm0? -80.81 -44.66 18.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.61 -26.48 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -53.4 -47.08 69.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.0 mt-10 -84.23 -14.05 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 mtt 38.72 29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -97.07 -13.92 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.625 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.8 p -109.16 117.46 34.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -130.15 38.91 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 92' ' ' HIS . 25.9 ttt180 -120.11 100.57 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.7 p90 -98.08 111.75 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -160.07 163.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.726 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -109.22 -44.68 3.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.922 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -107.37 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.62 37.05 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -150.54 33.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 1.5 mtm-85 52.99 57.65 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.2 pt -118.69 168.17 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.0 mp0 -134.33 179.21 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.353 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.3 -90.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.28 43.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.716 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.6 tm0? -66.37 -7.78 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.2 m -96.52 148.18 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.01 -14.83 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -98.68 -9.27 24.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.38 -32.89 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.669 ' HB2' HG23 ' A' ' 42' ' ' THR . 2.7 pp -74.67 -36.27 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -21.58 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -79.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.32 165.63 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 1.2 p-10 -143.02 82.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -176.74 100.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.014 ' OD1' HD11 ' A' ' 24' ' ' ILE . 26.8 m-20 -89.17 114.91 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.938 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.39 131.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.925 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.51 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.5 tt0 -121.39 134.59 55.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -115.19 95.85 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ARG . 2.3 m80 -79.73 174.44 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -98.24 143.1 29.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.753 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.541 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -80.43 121.13 25.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.576 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD2' ' A' ' 87' ' ' ASP . 23.2 pt -154.13 177.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 7.7 p30 -90.21 163.34 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.895 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -137.47 144.07 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -137.34 128.58 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -117.43 129.26 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 8.1 p -123.96 133.96 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.89 169.2 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -18.13 -77.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -120.31 -2.95 10.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 20.4 t -100.04 99.93 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -143.76 113.74 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 55' ' ' ARG . 2.9 tt -137.22 172.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.22 128.38 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.96 160.36 41.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.801 ' C ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -96.04 144.62 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.5 mp -143.09 168.12 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.531 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -104.15 59.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.26 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.753 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.55 -42.7 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.37 93.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.899 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -33.77 4.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.5 pt? -56.38 -52.97 62.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.73 -35.09 52.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.895 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.3 mmp_? -60.36 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -42.9 -36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.5 tmm? -40.82 -42.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.7 -39.75 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.81 -67.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.867 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.28 -22.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.86 -5.52 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -96.14 -25.07 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.15 -53.29 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.0 tm0? -91.28 -39.45 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.27 -21.33 2.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -42.36 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.09 -15.89 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 mtm 45.45 28.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -100.69 -10.46 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.7 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -122.25 124.93 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.7 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -139.81 34.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 22.1 ttt180 -107.99 101.07 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.1 p90 -95.69 118.04 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.1 pp -157.96 176.53 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.816 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.2 t80 -116.36 -41.88 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -123.16 -69.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.86 47.02 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.723 HD11 HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -160.17 32.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 35.2 mtp180 52.14 45.85 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -104.25 170.24 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.841 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.1 mt-30 -137.92 177.31 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.74 -89.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -101.53 41.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.591 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.6 tm0? -63.07 -8.46 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.584 HG22 ' HD2' ' A' ' 78' ' ' PRO . 8.2 m -92.25 145.09 30.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 -8.08 19.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.501 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.2 tt0 -100.52 -16.06 17.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.8 t0 -95.19 -34.11 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.582 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.4 pp -72.96 -43.51 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.72 -29.89 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -96.56 -75.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -58.43 159.1 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 24' ' ' ILE . 2.5 p-10 -138.76 82.99 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 24' ' ' ILE . 11.9 t-20 -178.26 95.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.2 m-20 -85.64 119.7 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.234 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.918 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.65 129.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 44' ' ' PRO . 5.5 mt -148.44 170.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.524 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.0 tt0 -115.53 135.18 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.867 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -111.08 137.32 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.539 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -125.92 -178.32 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.4 mmt85 -102.17 139.64 37.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.824 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.9 m-70 -87.51 125.97 34.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.1 pt -157.74 179.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 4.1 p-10 -93.55 158.31 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -127.8 143.93 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 2.5 tptp -142.25 111.25 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -102.56 121.54 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.6 p -110.65 141.41 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.901 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -153.07 156.88 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.88 -72.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -3.42 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -100.07 105.99 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.51 134.8 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.524 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.95 147.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.51 123.43 11.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -160.14 161.26 33.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 67.7 mttt -93.13 144.75 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.5 mp -140.56 165.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtm -102.64 59.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.62 141.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.824 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.54 -43.8 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.392 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.85 95.38 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.984 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -52.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -37.97 -54.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.8 mmt180 -73.19 -35.71 66.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -64.03 -78.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -40.22 -37.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -39.55 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.77 -67.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.739 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -54.53 -26.21 30.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.46 -6.65 58.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -94.92 -25.1 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -53.73 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.28 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 56' ' ' GLN . 25.1 mttt -52.75 -47.75 67.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -84.07 -13.29 53.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.8 ttm 38.4 29.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -99.35 -9.78 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 17.9 m -128.79 130.88 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -144.94 17.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -79.48 100.69 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 12.6 m-85 -85.73 104.71 15.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.994 HD11 ' HA2' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -142.59 157.5 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -118.75 -32.59 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -135.51 -72.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.994 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -167.92 44.71 0.24 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.811 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.96 43.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 4.2 ptm85 38.73 52.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.53 169.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.22 175.83 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.5 -97.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -96.17 42.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.7 tm0? -64.37 -9.04 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.751 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -95.51 146.39 31.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.751 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.07 -18.25 18.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -6.25 57.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -100.03 -54.44 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HB2' HG23 ' A' ' 42' ' ' THR . 3.5 pp -52.3 -33.31 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -24.77 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.582 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 6.0 mmt -101.03 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -62.05 170.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.19 82.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.426 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -176.88 101.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.869 ' OD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.53 113.35 24.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.89 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.98 131.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.984 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.7 mt -150.9 169.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -118.11 124.84 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.901 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -109.83 91.75 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -78.83 -179.11 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.629 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.521 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -84.75 144.04 28.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 64' ' ' ARG . 18.5 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.843 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.6 m-70 -86.21 122.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' OD1' ' A' ' 87' ' ' ASP . 25.5 pt -156.92 -178.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 6.7 p-10 -98.94 164.61 12.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -135.05 133.26 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 105.6 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.598 ' HA ' HD11 ' A' ' 48' ' ' LEU . 1.1 m -91.06 117.42 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.2 t -89.81 134.48 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.599 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.6 t0 -162.66 142.64 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.15 -74.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -122.43 -2.57 8.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.487 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -83.98 -15.49 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.003 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -36.83 108.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -134.28 156.6 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -132.77 140.67 48.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -157.32 160.75 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -103.45 149.9 24.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -152.73 168.75 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.26 61.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.4 ttmt 179.16 138.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.843 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.23 -47.06 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -31.71 92.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.817 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.9 pt? -40.22 -34.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.0 OUTLIER -99.88 -25.29 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -71.28 -67.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -54.79 -30.34 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 20.2 ttp -47.38 -40.85 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.6 tm-20 -101.2 -43.27 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -46.42 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.838 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -53.16 -27.55 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.06 -11.6 56.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' GLU . 1.8 tptt -91.68 -28.39 17.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.1 -56.45 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 40.3 tp60 -83.25 -43.23 16.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.46 -19.5 4.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -55.06 -46.19 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.2 mm-40 -90.6 -8.13 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm 39.65 29.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 m-20 -97.11 -10.04 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.509 ' OG ' ' CG ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -116.75 121.34 41.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -130.58 33.22 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -110.92 101.32 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.25 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.653 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -104.52 115.32 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 67' ' ' TYR . 2.3 pp -161.27 -179.32 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.9 t80 -117.12 -39.59 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.706 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -124.91 -68.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.555 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.75 36.39 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 ' CZ ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -156.01 48.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.07 49.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -105.32 167.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.549 ' NE2' ' HG3' ' A' ' 76' ' ' GLN . 4.3 mp0 -132.33 -178.83 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -95.21 -99.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -86.63 45.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.549 ' HG3' ' NE2' ' A' ' 73' ' ' GLN . 3.8 tm0? -71.84 -2.85 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.604 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.79 143.46 31.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 -16.7 20.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' CE ' ' A' ' 83' ' ' MET . 67.7 mt-10 -95.78 -27.05 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLU . 13.4 t70 -76.68 -48.82 17.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.695 HD13 HG23 ' A' ' 42' ' ' THR . 4.0 pp -53.86 -43.35 69.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.511 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -67.82 -22.83 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.494 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.73 -82.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.1 tt0 -60.29 161.88 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.61 82.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.8 t30 -176.91 89.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' OD1' HD11 ' A' ' 24' ' ' ILE . 44.9 m-20 -81.72 116.45 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.829 ' C ' HD12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -154.24 136.24 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 44' ' ' PRO . 4.2 mt -152.46 178.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.722 ' H ' HG22 ' A' ' 89' ' ' ILE . 17.2 tt0 -120.68 139.88 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.838 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -130.06 94.7 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -84.92 -179.13 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.36 149.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.826 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -91.01 117.46 29.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 42' ' ' THR . 3.4 pt -155.94 -178.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.1 p30 -105.74 151.93 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -120.13 140.63 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -132.72 110.43 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 35' ' ' ILE . 2.4 m -99.31 117.27 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.1 m -110.23 128.29 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.0 t70 -144.51 155.99 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.74 -65.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -4.97 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -100.65 99.2 9.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -132.97 114.47 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -135.22 148.96 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -136.5 127.34 27.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 35' ' ' ILE . 12.1 m-85 -153.81 161.04 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 7.9 mttt -102.17 137.2 40.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.7 mp -136.85 169.79 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.541 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -101.27 59.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD2' ' CG2' ' A' ' 43' ' ' THR . 1.3 mtmt -175.25 128.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.826 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.74 -41.49 16.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.5 t -33.21 97.07 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 1.021 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.5 pt? -37.94 -57.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 21.3 mmt85 -72.29 -38.68 68.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.723 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.75 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.27 -40.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -38.51 -42.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.5 tt0 -100.72 -51.56 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.45 -65.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.45 -19.57 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -97.08 -2.71 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' GLU . 32.0 mmtt -99.45 -24.13 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HG3' ' CB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.55 -46.84 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -100.34 -36.87 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -55.88 -17.69 16.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -56.88 -33.59 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.03 -13.99 26.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.99 29.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -100.04 -10.26 21.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.781 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -125.47 128.18 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -144.74 39.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' HIS . 36.5 ttt85 -123.08 82.67 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 35.7 p90 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -157.39 155.67 30.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.487 ' N ' HD12 ' A' ' 66' ' ' LEU . 14.3 t80 -100.7 -41.81 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.3 m-20 -110.18 -75.53 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.546 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.41 32.77 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.695 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.28 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 39.03 58.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -117.75 165.43 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.798 ' HG2' HD13 ' A' ' 89' ' ' ILE . 7.4 mp0 -136.57 -177.58 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.37 -91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -83.64 47.98 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.504 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tt0 -62.81 -9.26 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.737 HG22 ' HD2' ' A' ' 78' ' ' PRO . 3.0 m -103.88 147.13 33.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.737 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 -15.9 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.1 mt-10 -90.83 -21.34 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -86.85 -42.21 13.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.721 HD13 HG23 ' A' ' 42' ' ' THR . 4.1 pp -64.45 -38.57 91.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 81' ' ' LEU . 12.9 t0 -67.39 -19.77 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.7 mtm -100.51 -78.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 174.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.6 84.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 22.5 p-10 -174.59 95.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' OD2' ' CB ' ' A' ' 47' ' ' ARG . 9.7 t0 -93.32 84.33 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.921 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -124.82 128.93 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 1.021 HD11 ' HB2' ' A' ' 44' ' ' PRO . 7.5 mt -143.43 170.88 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.1 tt0 -120.69 130.31 54.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -102.54 145.33 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -132.39 -179.36 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.55 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 1.3 mmm-85 -100.31 143.27 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 3.3 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.424 -0.214 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.563 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -83.84 122.49 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.86 HD12 ' N ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -150.45 -178.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 9.3 p30 -103.78 141.42 36.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -119.61 158.58 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -148.72 128.41 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -109.63 131.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -122.57 117.5 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.608 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -132.83 166.62 21.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.27 -73.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -2.9 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -99.12 100.17 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.34 116.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 tp -144.1 156.54 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -132.99 130.08 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -144.1 160.88 40.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.26 134.05 41.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.7 mp -132.87 165.6 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -98.67 59.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' CD ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 179.34 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.692 HG23 HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -86.16 -41.68 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -36.23 98.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.991 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.2 pt? -44.81 -54.51 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.9 mtt180 -73.98 -38.62 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.1 mmp_? -62.69 -77.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -41.75 -38.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -39.98 -44.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -101.22 -40.66 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.24 -65.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -51.05 -39.93 57.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -76.14 -3.77 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 tptt -88.1 -29.47 20.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -61.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.69 -40.24 34.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -52.34 -18.63 5.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -100.25 -12.21 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.6 29.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -100.52 -13.18 18.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 56.3 m -124.93 128.95 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 14.37 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' HIS . 28.9 ttt180 -91.08 84.83 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 45.7 p90 -81.6 121.84 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -157.34 165.94 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 13.5 t80 -108.95 -43.89 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -115.77 -69.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.543 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.45 35.53 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.741 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -153.58 49.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER 36.69 44.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.4 pt -102.12 170.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.7 mt-30 -128.67 173.42 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -82.71 -80.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -110.33 42.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.677 ' HG2' HD13 ' A' ' 45' ' ' LEU . 2.5 tm0? -63.66 -15.04 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.6 m -71.58 138.27 83.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.372 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.0 -9.02 20.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -24.59 14.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -79.72 -47.63 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 HG23 ' A' ' 42' ' ' THR . 3.9 pp -53.55 -40.3 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.5 -21.58 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 mtm -98.29 -83.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.69 164.49 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.593 ' C ' HD12 ' A' ' 24' ' ' ILE . 7.5 p-10 -134.21 80.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.86 ' N ' HD12 ' A' ' 24' ' ' ILE . 8.8 t-20 -178.25 100.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.67 92.99 6.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.884 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -129.02 134.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.1 mt -150.49 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.599 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.7 tp10 -114.49 136.56 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 30' ' ' ASP . . . -111.01 108.48 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -98.48 171.76 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.6 148.56 23.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 2.0 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.58 ' HB2' HG22 ' A' ' 42' ' ' THR . 2.0 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.866 HG23 HG23 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -159.14 153.28 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CG ' ' CD ' ' A' ' 40' ' ' LYS . 1.5 t60 -90.44 103.54 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.866 HG23 HG23 ' A' ' 22' ' ' THR . 4.1 pt -138.7 -177.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 15.5 p-10 -104.02 151.98 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.832 HD12 ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -118.66 147.56 43.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.89 111.34 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.97 124.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 60.2 m -116.15 143.52 45.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.59 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 164.29 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.59 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.14 -73.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.91 -3.3 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 9.6 t -94.01 103.98 16.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -134.52 111.72 10.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -127.95 144.9 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -137.46 122.6 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -155.12 161.04 41.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 13.0 mttt -91.89 146.21 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.6 mp -142.08 151.07 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' CD ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -90.63 58.13 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 177.64 127.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.798 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.87 -41.77 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -33.56 94.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.949 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.01 -54.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -37.05 -53.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -72.25 -35.71 68.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.57 -77.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.37 -39.45 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -43.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.7 tt0 -101.42 -52.09 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -41.77 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.707 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -49.97 -44.51 50.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -70.07 -5.9 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -92.96 -25.4 18.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.05 -57.18 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.4 tp60 -87.52 -42.69 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -40.41 -26.85 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLN . 13.9 tttt -53.85 -39.98 66.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.3 tt0 -89.28 -14.46 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 tpt 37.99 29.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.02 -11.22 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.566 ' C ' HD23 ' A' ' 63' ' ' LEU . 18.4 p -117.25 122.73 44.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.93 32.72 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -106.11 102.75 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -98.85 106.81 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -153.25 174.32 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.788 ' N ' HD12 ' A' ' 66' ' ' LEU . 9.7 t80 -110.52 -48.64 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -117.04 -68.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.46 42.22 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.158 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.69 42.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 20.6 ptt180 42.2 49.7 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.41 173.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.824 ' OE1' HD13 ' A' ' 89' ' ' ILE . 20.5 mt-30 -140.56 -179.61 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 88' ' ' ILE . . . -87.97 -68.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -126.83 45.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.789 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -65.16 -8.39 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.0 m -92.26 136.16 26.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.07 -6.57 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -99.96 -11.61 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.4 t0 -95.55 -44.5 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.681 HD13 HG23 ' A' ' 42' ' ' THR . 3.7 pp -56.07 -40.78 74.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -27.7 63.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 mtm -100.62 -74.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.0 tp10 -60.4 166.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.526 ' CB ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -147.28 84.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 5.6 t-20 -175.56 94.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.832 ' OD1' HD12 ' A' ' 26' ' ' LEU . 34.8 t0 -84.28 113.15 20.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.93 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.36 129.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.949 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 89' ' ' ILE . 14.9 tt0 -116.96 139.4 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -121.89 94.51 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.68 -179.45 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.608 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -102.83 143.55 32.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -161.23 79.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -154.3 96.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.722 ' C ' HD12 ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.705 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -84.8 132.2 34.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.412 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.0 m-70 -86.0 128.19 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.96 ' O ' HD13 ' A' ' 39' ' ' ILE . 23.8 pt -156.94 -178.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 8.5 p30 -97.68 148.38 23.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -127.19 141.35 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -137.11 116.61 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -99.42 121.3 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -96.4 108.34 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.2 t0 -135.27 142.78 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.46 -73.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -120.84 -3.57 9.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -89.92 -0.07 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 6.8 pt-20 -49.78 108.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.41 149.0 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.96 126.46 25.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 12.1 p90 -160.82 161.33 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 1.1 mptt -89.7 152.45 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -146.96 170.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.0 mmtp -106.4 62.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 178.88 140.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.705 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -92.46 -54.84 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -30.19 91.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.91 -46.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.94 -41.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -93.59 -26.46 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.938 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.62 -66.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.4 -37.17 64.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -38.88 9.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -100.73 -42.6 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.3 -66.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.9 -29.42 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.6 -0.7 57.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -98.12 -24.17 15.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -48.1 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 5.6 tp60 -98.14 -39.1 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.93 -19.46 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -59.57 -33.97 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -94.91 -10.45 31.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.48 29.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -10.46 21.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -124.12 127.28 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.56 16.06 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' HIS . 15.2 ttt180 -88.64 96.01 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 42.1 p90 -98.05 111.76 23.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -160.47 161.71 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.9 t80 -103.94 -42.98 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.991 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.9 m-20 -116.08 -75.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.11 46.99 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -160.37 30.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER 54.38 48.21 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.8 pt -107.63 169.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 7.7 mp0 -135.02 179.53 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.04 -90.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -103.69 46.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.882 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.9 tm0? -62.98 -10.98 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.558 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.8 m -73.25 142.09 81.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.007 ' HA ' HD23 ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.04 -13.37 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.5 -29.85 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 39.1 t0 -74.45 -18.44 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.007 HD23 ' HA ' ' A' ' 78' ' ' PRO . 2.0 pp -72.98 -44.86 60.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.35 -9.89 59.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -83.78 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.77 163.99 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.55 83.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 29.5 t-20 -177.05 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.872 ' OD1' HD11 ' A' ' 24' ' ' ILE . 58.9 m-20 -82.61 121.89 27.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.936 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.74 125.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 48' ' ' LEU . 9.2 mt -148.23 159.43 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.4 tt0 -104.64 132.66 50.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -117.51 97.68 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -90.49 -179.44 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.581 ' CD ' ' C ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.29 150.41 20.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 tt0 -160.78 79.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -160.39 151.38 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -154.32 -178.12 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' HG23 ' A' ' 22' ' ' THR . 1.3 t60 -120.85 107.49 12.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.807 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.6 pt -149.02 -179.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.8 p30 -101.02 166.95 10.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.34 145.04 40.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 16.0 tptt -138.4 115.59 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -102.24 123.35 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.5 m -113.04 134.66 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.2 m-20 -149.68 159.34 44.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.582 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.52 -73.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.38 -4.83 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 4.3 t -101.49 106.47 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -145.83 129.54 17.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -145.56 157.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -137.44 126.63 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 35' ' ' ILE . 8.9 m-85 -148.5 160.84 42.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.794 ' C ' HD13 ' A' ' 39' ' ' ILE . 30.4 mttt -101.39 145.24 29.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -147.38 169.19 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -101.06 63.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 179.58 131.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -86.48 -42.18 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -35.62 94.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.907 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -41.74 -33.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -97.81 -25.66 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.75 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -51.41 -35.7 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -42.76 -41.5 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.9 tt0 -101.11 -48.3 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -45.08 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.876 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.0 -34.73 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 111.043 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 -3.0 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -97.81 -25.91 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -48.43 4.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' OE1' ' CB ' ' A' ' 33' ' ' SER . 34.4 tp60 -95.87 -41.46 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.61 -24.44 1.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.26 70.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' ASP . 4.6 tt0 -98.33 -11.43 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.7 ttm 37.79 29.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -96.45 -9.86 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.775 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.7 p -121.34 125.91 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.76 43.35 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -122.13 101.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 52' ' ' PHE . 24.0 m-85 -101.08 107.5 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.5 pp -160.08 165.77 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 1.1 t80 -104.17 -44.67 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.52 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -109.53 -74.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -177.43 40.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 69' ' ' GLY . 1.9 pp -158.14 32.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 62.89 52.7 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' A' ' 70' ' ' ILE . 60.6 mt -96.58 162.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' OE1' HD13 ' A' ' 89' ' ' ILE . 11.1 mt-30 -145.2 170.8 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.814 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.65 -87.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -107.89 44.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.681 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.0 tm0? -63.49 -9.02 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.448 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -102.16 155.27 36.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.69 -8.54 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.0 t0 -100.26 -41.06 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.609 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -74.0 -39.58 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.3 -17.94 60.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 83' ' ' MET . 22.2 ttp -100.75 -70.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.3 tp10 -75.18 165.26 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.14 83.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -176.33 92.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.807 ' OD1' HD11 ' A' ' 24' ' ' ILE . 63.0 m-20 -83.85 117.93 23.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.917 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 130.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.7 mt -151.68 171.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.1 tt0 -117.27 134.49 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.876 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -116.46 97.06 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.89 178.03 8.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -101.08 147.4 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -161.01 79.41 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.33 119.81 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 42' ' ' THR . 23.0 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER -160.95 146.55 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.8 m-70 -89.38 121.84 32.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.055 HD11 ' OD1' ' A' ' 87' ' ' ASP . 28.3 pt -155.55 -179.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 21.7 p-10 -95.24 158.19 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -129.8 144.34 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -135.28 116.64 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 HG22 ' A' ' 35' ' ' ILE . 1.9 m -104.19 119.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 37.4 t -113.07 146.81 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.62 165.0 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.578 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -21.26 -71.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -3.58 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 2.7 t -94.72 107.04 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -138.51 106.96 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -129.69 147.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 4.1 p90 -134.32 132.31 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 35' ' ' ILE . 14.9 m-85 -155.53 160.89 40.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.37 144.69 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.569 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.1 mp -141.3 165.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 5.2 mmtt -102.05 59.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -88.98 -43.86 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.86 93.08 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.906 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.763 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -40.71 -57.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.3 mtt-85 -73.77 -38.63 64.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.2 mmp_? -55.97 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -45.27 -40.76 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.88 -42.29 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -100.53 -50.36 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -42.63 -67.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.709 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -54.75 -23.34 17.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -87.72 -9.78 53.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . 36.8 mmtt -89.26 -28.83 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 tp60 -80.55 -45.57 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.77 -27.41 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' GLN . 14.1 tttt -53.67 -44.72 69.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -84.75 -14.18 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 36.28 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -100.09 -9.48 22.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.705 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -119.96 122.67 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.73 41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -116.33 101.27 8.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -94.19 110.9 22.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -160.28 162.52 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' N ' HD12 ' A' ' 66' ' ' LEU . 65.8 t80 -101.53 -46.18 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -118.67 -69.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.77 46.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.575 1.172 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -159.43 34.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 25.9 mtm180 47.45 49.84 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.763 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -109.14 177.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.3 mp0 -142.11 179.38 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.86 -72.54 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 45.22 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.752 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.3 tm0? -63.85 -10.84 22.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.7 m -82.38 136.66 45.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.97 -11.09 21.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' CE ' ' A' ' 83' ' ' MET . 4.6 tt0 -100.46 -8.24 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 46.7 t0 -97.03 -43.3 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.584 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.6 pp -55.86 -43.17 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.57 ' N ' HD12 ' A' ' 81' ' ' LEU . 55.7 t0 -64.8 -20.26 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -98.77 -77.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tt0 -62.51 172.07 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 82.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -177.83 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.055 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.5 m-20 -91.64 117.17 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.948 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.47 127.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.2 mt -149.44 172.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.54 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -119.18 143.75 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.709 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -126.54 98.33 5.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.22 -179.35 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.638 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -96.02 147.24 23.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -160.34 78.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -159.05 116.61 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 96' ' ' ILE . 1.7 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -92.71 123.66 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.0 m-70 -83.24 124.46 30.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' HIS . 46.0 pt -156.97 -179.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.8 p30 -97.93 161.62 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.48 142.64 39.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -135.6 120.55 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.23 123.84 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.5 p -118.17 139.46 51.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.37 164.46 29.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.61 -74.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.09 -3.28 9.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.769 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 14.6 t -94.15 101.73 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.72 117.08 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -137.21 137.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -129.37 120.45 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 3.6 m-85 -153.85 161.3 42.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 22.6 mttt -100.91 145.72 28.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.1 mp -139.11 167.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -99.25 58.86 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.9 mttt 179.42 140.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.834 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -89.11 -44.9 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.857 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.11 93.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.439 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -41.7 -36.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.26 -24.1 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 1.007 ' CG ' HD13 ' A' ' 26' ' ' LEU . 4.3 tpm_? -67.79 -68.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.813 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -53.09 -36.58 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -42.51 -41.82 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -38.84 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.17 -68.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 1.014 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -56.44 -16.86 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -94.64 -3.54 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.32 -21.73 17.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -50.31 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -100.35 -38.8 8.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -48.75 -22.46 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -55.77 -37.78 68.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.78 -13.61 33.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 45.9 29.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.31 -12.56 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.676 ' C ' HD23 ' A' ' 63' ' ' LEU . 1.7 p -117.36 123.21 45.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.56 38.78 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 23.6 ttt180 -114.52 101.22 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 49.2 p90 -104.07 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -160.26 164.36 32.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.655 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.3 t80 -109.21 -41.15 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.812 ' HB2' HD11 ' A' ' 72' ' ' ILE . 14.4 m-20 -110.59 -78.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.561 ' H ' HD13 ' A' ' 70' ' ' ILE . . . -175.89 37.14 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG12 HG23 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -148.98 25.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 8.6 mtm180 62.18 51.04 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 ' HB2' ' A' ' 68' ' ' ASP . 3.2 pt -110.15 168.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 89' ' ' ILE . 27.3 mt-30 -134.98 176.85 8.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.47 -87.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.11 47.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.766 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tm0? -66.73 -8.43 28.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.676 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -92.66 144.78 29.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.92 -10.87 21.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' SD ' ' A' ' 83' ' ' MET . 36.2 mt-10 -98.53 -10.51 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.9 t0 -101.63 -48.78 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.7 pp -57.52 -46.54 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.59 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.39 -11.99 60.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -100.35 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -69.93 163.25 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -131.95 82.49 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -176.92 88.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.571 ' C ' HG22 ' A' ' 88' ' ' ILE . 95.3 m-20 -83.19 121.33 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.885 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.3 127.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.9 mt -145.86 170.23 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 29' ' ' SER . 18.0 tt0 -114.57 143.87 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -119.11 153.73 34.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -149.61 -180.0 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.2 mmt-85 -99.8 141.47 32.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -160.6 78.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -158.22 112.75 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.726 ' C ' HD12 ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.726 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER -149.5 135.24 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.52 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.25 122.16 25.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.4 pt -156.87 -179.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.8 p-10 -107.5 152.19 24.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 3.8 tptm -128.75 113.92 15.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.7 m -95.58 120.74 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 5.6 m -110.23 141.79 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.99 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -157.35 159.84 37.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.39 -67.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.525 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -121.53 -3.49 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -100.22 102.94 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.57 114.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.89 151.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.59 146.51 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -156.17 161.22 40.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 2.1 mttt -106.31 136.83 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -138.59 168.82 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' ' 23' ' ' HIS . 2.6 tppt? -99.54 58.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 178.41 142.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.726 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.81 -45.57 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.684 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -27.34 88.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 1.012 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.33 -43.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -91.04 -27.75 18.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.785 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.41 -69.83 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.97 -38.21 49.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -42.02 -44.35 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.78 -36.82 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -59.74 -63.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.72 -17.06 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -100.15 0.01 39.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -24.92 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -55.38 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -90.54 -38.2 13.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -47.77 -22.41 1.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.96 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -13.37 30.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.1 tpp 42.81 29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.82 -10.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.641 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.91 122.94 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.04 34.65 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -110.34 101.18 9.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 29.9 p90 -98.66 116.15 30.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -160.6 167.99 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.806 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -108.79 -48.94 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.27 -68.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.15 42.85 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -158.34 44.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER 39.17 51.3 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -110.92 173.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.741 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-30 -136.3 175.54 9.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.94 -90.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -96.48 42.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.744 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.4 tm0? -68.47 -6.36 24.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.6 m -95.87 143.59 26.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.04 -16.29 20.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.76 -8.85 42.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' GLU . 7.8 t70 -100.4 -51.98 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.4 pp -55.16 -39.42 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.11 -19.54 64.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttp -100.89 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' ASP . 5.0 tp10 -65.02 166.33 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.26 95.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.692 ' OD1' HD11 ' A' ' 24' ' ' ILE . 97.5 m-20 -86.27 118.82 25.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.897 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.37 129.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.012 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.2 mt -151.06 174.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.57 ' H ' HG22 ' A' ' 89' ' ' ILE . 8.2 tt0 -124.32 140.35 53.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.99 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -126.45 99.01 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.43 -179.36 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.632 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.5 OUTLIER -96.39 149.11 22.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.64 79.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.37 113.11 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.773 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -94.03 124.61 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -81.08 125.54 30.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.616 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 13.9 pt -157.26 179.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 11.5 p30 -93.54 161.29 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.795 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -133.78 150.39 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -144.43 108.15 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 26' ' ' LEU . 1.5 m -93.23 118.71 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -94.52 105.57 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.6 t0 -131.29 143.5 50.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.59 -75.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.11 -2.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.041 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' OG ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -90.9 3.44 54.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 23.9 pt-20 -55.31 123.86 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.59 155.87 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 2.5 p90 -132.71 138.24 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -154.11 160.57 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -91.92 142.29 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.633 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.4 mp -141.33 166.96 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.634 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.2 mmmm -102.67 59.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.5 mttt 178.07 140.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.773 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.03 -42.17 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.75 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.93 94.65 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 1.003 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -29.62 8.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.6 pt? -61.1 -52.61 64.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.8 mmm180 -78.26 -35.2 48.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 8.0 mmp_? -60.88 -75.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -43.04 -41.2 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -38.2 -39.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER -100.59 -57.59 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.03 -29.06 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.17 -1.41 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.4 mmtt -100.0 -26.55 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -49.37 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 13.7 tp60 -87.61 -35.66 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.74 -14.94 17.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -49.02 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 61' ' ' ASP . 35.7 mt-10 -86.18 -10.81 54.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt 41.07 27.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 59' ' ' GLU . 1.9 m-20 -100.75 -9.19 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 1.4 m -120.43 123.68 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.31 26.59 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 27.7 ttt180 -103.6 84.94 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 52.0 p90 -86.38 119.05 26.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -160.5 164.85 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.8 t80 -110.4 -39.15 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.939 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -114.31 -74.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.579 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.99 35.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.704 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.46 37.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 16.9 mtm105 48.99 56.64 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.939 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -117.31 171.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -129.11 -179.85 5.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.19 -79.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -112.83 45.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.588 ' HG2' HD13 ' A' ' 45' ' ' LEU . 1.2 tm0? -62.33 -12.49 21.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.66 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -82.6 144.91 49.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.94 -13.43 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.556 ' O ' ' HE1' ' A' ' 83' ' ' MET . 3.9 tt0 -93.46 -25.05 17.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.2 t70 -83.14 -49.5 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 43' ' ' THR . 4.1 pp -61.85 -43.96 97.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 42.1 t0 -58.7 -29.44 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -94.2 -77.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -59.71 170.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -146.27 84.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -176.85 94.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.795 ' OD2' HD12 ' A' ' 26' ' ' LEU . 18.2 t0 -85.71 119.89 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.89 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.56 129.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.3 mt -152.14 169.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' HG2' ' CE1' ' A' ' 92' ' ' HIS . 2.1 tp10 -110.34 127.9 55.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -107.04 94.64 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.26 -177.8 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -124.36 153.34 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.54 78.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -142.26 111.96 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.809 HG22 ' HB ' ' A' ' 42' ' ' THR . 1.6 t -146.53 166.88 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -97.53 116.07 29.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.583 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CG ' ' A' ' 87' ' ' ASP . 4.2 pt -154.9 -179.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 12.1 p30 -111.17 155.01 23.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.886 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -124.95 145.36 49.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.91 112.92 10.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -98.83 120.4 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 28.5 p -109.8 141.6 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 31' ' ' GLY . 13.1 t0 -160.07 157.13 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -24.99 -67.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.16 -4.37 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -100.9 100.6 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 4.3 pt-20 -137.49 116.92 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -134.25 150.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -138.12 130.5 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -154.9 160.75 41.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -119.68 133.19 55.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.749 HG22 ' H ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -141.19 -179.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -99.38 71.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.627 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 2.1 mtmt 178.32 133.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.809 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -93.3 -44.95 8.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.593 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -30.85 90.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.98 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.4 pt? -33.64 -54.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -76.34 -35.09 58.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.886 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.81 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -47.74 -41.6 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttp -39.93 -44.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -42.11 6.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -56.8 -64.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.99 -17.09 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -99.62 0.56 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -94.98 -24.27 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -49.85 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 4.6 tp60 -99.05 -35.28 10.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -60.78 -13.53 32.91 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -35.3 71.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.46 -11.6 31.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.27 28.7 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.58 -12.44 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.622 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -120.75 125.72 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -140.38 31.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 50.5 ttt180 -107.79 100.44 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 17.9 p90 -104.73 118.78 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.4 pp -156.14 -179.91 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.847 ' N ' HD12 ' A' ' 66' ' ' LEU . 47.9 t80 -114.58 -48.82 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -119.0 -67.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.39 42.87 0.13 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.068 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -159.17 46.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.1 50.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.816 HD13 HD11 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -109.0 170.41 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.784 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.5 mp0 -140.76 -179.59 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.89 -99.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.49 45.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.696 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.66 -11.99 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.754 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -88.83 146.94 37.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.02 -9.97 20.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HE2' ' A' ' 83' ' ' MET . 0.3 OUTLIER -97.34 -21.64 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.8 t0 -89.64 -55.45 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 42' ' ' THR . 4.5 pp -50.5 -42.45 54.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -68.0 -27.3 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.484 ' HE2' ' O ' ' A' ' 79' ' ' GLU . 6.9 mtm -93.5 -82.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ASP . 20.6 tp10 -58.98 160.46 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -134.71 83.33 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -176.42 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.831 ' CG ' HD11 ' A' ' 24' ' ' ILE . 82.8 m-20 -85.22 119.97 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.901 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.19 130.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.784 HD13 ' HG2' ' A' ' 73' ' ' GLN . 3.8 mt -146.7 171.26 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.9 tt0 -117.94 129.93 55.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -102.97 156.21 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -147.17 -179.58 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.0 mmt-85 -106.61 139.17 41.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -160.46 85.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -156.72 104.85 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.768 HG23 HG23 ' A' ' 24' ' ' ILE . 1.8 t -135.33 -179.4 5.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 1.7 t60 -113.95 113.34 24.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.571 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.046 HD11 ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -151.31 -179.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 46.4 p-10 -98.54 157.82 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -131.36 141.45 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -135.53 115.15 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -103.05 124.37 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -108.81 145.41 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' HG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER -159.99 157.5 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -26.77 -67.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -121.59 -3.64 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.531 ' HG ' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.54 108.86 21.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.77 110.43 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -120.26 141.37 40.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -143.3 117.51 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -159.03 161.7 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 20.8 mttt -93.38 142.45 27.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.8 mp -137.44 166.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -101.19 59.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 129.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.66 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.38 -40.57 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -35.8 96.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.37 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.974 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -36.89 -55.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.3 mtt85 -68.87 -38.31 79.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.595 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -40.37 -37.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -43.04 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -100.41 -40.82 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -52.78 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CZ ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.49 -22.72 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -89.91 -5.19 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' GLU . 12.3 mttt -94.18 -22.6 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -90.62 -39.9 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -43.9 -25.57 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.53 -31.1 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -13.85 24.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 40.83 29.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 -9.52 27.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.726 ' C ' HD23 ' A' ' 63' ' ' LEU . 64.1 p -120.36 128.0 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.83 38.44 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -119.11 101.58 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 77.7 m-85 -90.73 118.54 30.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 68' ' ' ASP . 2.7 pp -160.46 161.78 32.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.454 ' CE1' HD11 ' A' ' 88' ' ' ILE . 11.6 t80 -110.66 -25.96 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.764 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -123.95 -73.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -178.74 35.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 69' ' ' GLY . 2.1 pp -159.94 37.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 0.6 OUTLIER 60.66 52.73 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 68' ' ' ASP . 59.6 mt -97.81 163.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -139.01 164.96 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' CB ' HD13 ' A' ' 88' ' ' ILE . . . -89.64 -84.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -119.56 45.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 45' ' ' LEU . 6.5 mt-30 -68.14 -7.14 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -80.58 142.3 53.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -74.98 -8.64 20.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.98 -12.0 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.242 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.6 t70 -94.42 -28.51 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 42' ' ' THR . 2.7 pp -76.1 -39.13 55.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -66.29 -29.43 69.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -75.93 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.5 tp10 -58.87 168.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -146.59 83.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.717 ' N ' HD12 ' A' ' 24' ' ' ILE . 35.8 t30 -176.05 100.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.046 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.8 m-20 -94.55 116.78 29.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.896 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.14 125.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.974 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.1 mt -152.61 174.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' H ' HG22 ' A' ' 89' ' ' ILE . 5.2 mt-10 -126.12 147.59 49.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.695 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -132.93 99.27 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.93 -179.93 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.629 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -88.53 151.22 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -160.41 78.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -160.36 119.64 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.704 ' C ' HD12 ' A' ' 96' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 5.2 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.869 HG23 HG23 ' A' ' 24' ' ' ILE . 1.2 t -157.33 144.5 18.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -81.08 114.65 20.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.632 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.954 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.2 pt -152.7 -179.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 17.0 p-10 -108.81 161.7 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.21 143.92 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.9 114.07 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -97.81 122.33 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -115.14 136.67 52.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.886 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 2.8 m-20 -151.53 157.46 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.6 -72.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -121.17 -4.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -100.42 102.14 13.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -132.04 122.35 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -138.93 163.92 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.4 p90 -149.9 138.98 21.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -157.35 161.07 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 13.7 mttt -103.37 140.09 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 39' ' ' ILE . 1.9 mp -141.17 149.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -81.84 58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 142.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.745 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.58 -42.98 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.543 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -29.16 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.909 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -46.72 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -39.13 -37.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -25.92 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.905 ' CG ' HD13 ' A' ' 26' ' ' LEU . 1.5 tpm_? -65.23 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.63 -40.48 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -41.01 -40.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.0 tt0 -100.57 -48.52 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -49.37 -66.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.62 -20.19 12.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.21 -7.68 44.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -93.16 -29.41 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -100.69 -57.07 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.73 -43.57 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.91 -25.82 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -54.14 -41.81 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.3 mt-10 -90.37 -12.23 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 25.4 ptp 36.24 31.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . 10.9 m-20 -98.73 -12.96 20.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -120.99 126.1 49.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.84 38.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CD ' ' HG3' ' A' ' 94' ' ' GLU . 20.3 ttt180 -111.13 100.68 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 44.2 p90 -85.19 101.7 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.053 HD11 ' HA2' ' A' ' 69' ' ' GLY . 2.6 tt -136.21 151.87 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' N ' HD23 ' A' ' 66' ' ' LEU . 5.3 t80 -116.91 -39.33 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 111.061 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.581 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -123.54 -70.83 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 1.053 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -172.38 45.0 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.83 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.62 43.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.9 mtm180 40.33 50.69 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 170.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 5.7 mp0 -124.33 175.62 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.51 -99.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -89.31 42.78 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.9 tm0? -67.41 -6.86 21.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.632 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.8 m -97.51 143.85 26.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.3 mt-10 -88.69 -11.63 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 -100.19 -57.42 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -51.11 -40.08 57.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.21 -26.15 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -100.39 -77.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -58.77 165.88 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -142.35 83.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.44 97.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.954 ' OD1' HD11 ' A' ' 24' ' ' ILE . 70.7 m-20 -88.12 117.86 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.889 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.27 129.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -150.54 168.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -117.26 133.43 55.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -113.5 95.05 5.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -79.29 -178.79 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -94.73 141.13 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.471 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -159.7 79.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -158.89 99.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 81' ' ' LEU . 29.0 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.861 HG23 HG23 ' A' ' 24' ' ' ILE . 1.6 t -139.98 156.12 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.616 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.6 m-70 -92.76 113.87 26.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.0 HD11 ' OD2' ' A' ' 87' ' ' ASP . 6.3 pt -148.09 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.9 p30 -100.11 159.3 15.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -130.36 142.38 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 111.99 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -102.6 121.9 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.0 p -117.07 144.55 44.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 166.47 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.17 -73.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -3.28 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 43.5 t -97.42 100.36 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -139.1 108.72 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.586 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -136.34 146.59 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -129.01 126.04 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 -148.04 161.09 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -85.73 151.51 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -145.67 160.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.616 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtt -101.6 57.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HG2' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER 175.96 133.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.792 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.59 -43.83 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -34.21 93.64 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.987 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.1 pt? -43.24 -33.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -96.79 -24.87 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -73.22 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.66 -33.66 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.2 ttp -45.39 -42.47 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.0 tt0 -100.28 -45.09 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -50.74 -66.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.662 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.5 -18.22 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.37 -5.41 36.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.6 mmtp -95.96 -27.67 15.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -50.31 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 10.8 tp60 -91.6 -40.36 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.64 -19.35 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -58.01 -26.7 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -12.16 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 44.69 28.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -100.35 -10.65 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.747 ' C ' HD23 ' A' ' 63' ' ' LEU . 11.1 t -107.53 112.89 25.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.34 40.81 3.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 3.2 ttm180 -143.92 81.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.2 p90 -81.63 119.24 23.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -150.69 157.91 43.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.4 t80 -103.89 -41.94 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.841 ' HB2' HD11 ' A' ' 72' ' ' ILE . 6.4 m-20 -110.15 -75.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.64 32.95 0.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.82 48.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.9 57.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -116.08 171.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.978 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.3 mt-30 -134.45 178.78 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.74 -88.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -95.49 40.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.781 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm0? -65.72 -11.78 48.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.721 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.3 m -80.39 145.72 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.721 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.02 -11.67 21.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -32.08 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.7 t70 -69.9 -40.21 75.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 42' ' ' THR . 3.6 pp -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.25 -20.03 65.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtm -100.4 -81.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.4 tp10 -62.82 163.89 8.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.83 83.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.587 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -175.79 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.0 ' OD2' HD11 ' A' ' 24' ' ' ILE . 15.1 m-20 -86.92 120.22 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.879 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.8 129.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.987 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.2 mt -152.26 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.491 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.5 tt0 -119.57 137.13 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.662 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -106.29 100.86 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -80.18 159.71 25.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.53 150.25 21.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.98 78.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -160.19 117.52 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 9.4 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.756 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER -157.44 136.93 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -79.48 120.51 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.5 pt -153.8 -179.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 36.3 p-10 -97.22 169.48 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.933 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.31 143.71 40.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -132.46 115.84 16.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 35' ' ' ILE . 1.4 m -104.34 120.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 64.4 p -115.28 144.97 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.17 164.91 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -22.13 -71.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.38 -3.08 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -95.09 105.83 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.881 ' H ' HH21 ' A' ' 55' ' ' ARG . 10.1 pt-20 -138.1 109.64 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.798 HG22 HG22 ' A' ' 28' ' ' VAL . 4.8 tp -134.07 156.66 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 3.0 p90 -138.17 131.68 30.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -147.72 160.98 42.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 6.3 mtpt -107.7 140.96 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 40' ' ' LYS . 2.8 mp -139.5 171.58 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -103.5 59.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER 179.36 143.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.756 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.43 -42.33 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.54 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -31.4 93.12 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -39.33 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -95.96 -26.46 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.933 ' CG ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -66.58 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.66 -38.98 82.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' MET . 2.6 tpt -41.92 -42.49 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.2 tt0 -100.12 -45.64 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.537 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -51.97 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.2 -24.65 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.71 -4.38 55.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' GLU . 7.0 tptt -91.88 -29.1 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.881 HH21 ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -101.85 -57.34 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 14.2 tp60 -82.38 -38.39 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.92 -16.86 6.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -60.05 -35.92 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.87 -0.86 53.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.512 ' O ' HD21 ' A' ' 63' ' ' LEU . 2.1 mmt 38.38 29.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' GLU . 9.8 t70 -100.92 -9.44 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.669 ' C ' HD23 ' A' ' 63' ' ' LEU . 40.9 t -102.58 103.04 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.669 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -129.44 38.66 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 1.7 ttt180 -138.85 80.7 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 26.4 p90 -82.43 119.75 24.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -160.02 158.42 30.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -102.03 -42.17 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.792 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -116.84 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.53 41.56 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.567 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -157.45 40.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 6.1 ptt180 43.92 48.75 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.1 pt -105.08 173.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.972 ' HG2' HD13 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -137.17 -179.87 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.14 -88.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.62 44.76 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.662 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.3 tm0? -65.66 -9.53 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.9 m -92.64 146.21 31.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.739 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -13.72 21.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.86 -9.74 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.13 -42.77 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.0 pp -66.47 -38.85 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -73.68 -12.64 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 84' ' ' GLU . 3.9 ttp -101.26 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -89.56 177.51 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.78 83.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 24' ' ' ILE . 9.1 t-20 -177.14 98.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.0 m-20 -87.65 120.04 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.898 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.54 128.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.972 HD13 ' HG2' ' A' ' 73' ' ' GLN . 2.3 mt -150.9 172.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.534 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.3 tt0 -117.13 136.5 52.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.437 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -111.81 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.508 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 1.7 m80 -83.87 155.02 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.622 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.2 mmm-85 -97.04 143.46 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.19 78.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -149.44 107.2 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.846 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -161.73 145.81 12.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.3 m-70 -85.21 121.34 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.0 pt -158.1 -178.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.7 p-10 -110.44 149.41 30.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.831 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -116.48 143.43 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 6.6 tptm -135.87 111.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -97.29 122.08 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.0 m -112.07 143.15 43.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.076 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.912 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 m-20 -158.05 160.04 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.54 -74.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.544 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -121.68 -3.82 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 2.9 t -100.4 109.22 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 128.39 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.95 151.42 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 1.3 p90 -135.84 132.87 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -151.88 161.06 43.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.865 ' C ' HD12 ' A' ' 39' ' ' ILE . 10.1 mmtt -102.01 145.27 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.2 mp -146.32 161.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -94.88 59.22 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 22.0 pttt -179.96 142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.846 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.08 -47.58 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -27.8 90.14 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.766 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -38.56 -39.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -92.9 -27.09 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -68.08 -69.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -51.34 -38.13 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -41.21 -42.52 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -42.25 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.87 -66.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.835 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.79 -16.87 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 0.15 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -97.05 -25.52 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -51.19 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 34.4 tp60 -94.24 -40.19 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.3 -23.14 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -31.87 68.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -99.75 -11.0 21.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.17 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -95.06 -9.74 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.711 ' C ' HD23 ' A' ' 63' ' ' LEU . 9.1 p -116.85 124.72 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.48 39.67 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -119.49 100.79 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 48.3 p90 -99.76 114.3 27.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -160.41 172.11 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.932 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.6 t80 -116.61 -48.83 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.9 m-20 -107.11 -74.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' C ' HG23 ' A' ' 70' ' ' ILE . . . -174.71 37.12 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.71 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -153.47 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 ptt180 43.6 56.68 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -114.95 164.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' OE1' HD13 ' A' ' 89' ' ' ILE . 15.3 mt-30 -127.06 178.37 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.97 -76.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -118.44 46.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.812 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -65.68 -9.65 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.1 m -77.33 144.31 70.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.641 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.61 -44.9 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 26.9 t0 -53.95 -38.11 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 42' ' ' THR . 3.5 pp -60.03 -40.9 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 81' ' ' LEU . 27.4 t0 -70.43 -17.19 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.534 ' CE ' ' HA ' ' A' ' 83' ' ' MET . 11.5 mmt -100.79 -79.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -59.77 161.98 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.81 82.72 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -176.96 93.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' C ' HG22 ' A' ' 88' ' ' ILE . 2.8 m-20 -82.54 116.03 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.949 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 128.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.8 mt -148.64 171.34 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.4 tt0 -120.88 133.31 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.912 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -120.72 94.54 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.76 177.38 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -98.46 147.53 24.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' NE ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -160.51 79.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 102.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.907 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -96.47 128.31 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 3.9 m-70 -85.51 124.7 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.999 HD11 ' OD2' ' A' ' 87' ' ' ASP . 25.5 pt -156.65 -179.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.5 p-10 -97.64 155.63 16.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -127.01 144.77 50.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 110.28 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.1 m -95.54 121.53 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -101.05 106.55 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' GLY . 16.5 t0 -132.08 147.83 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.21 -76.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -121.1 -2.65 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -85.44 -10.95 55.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -40.44 112.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 158.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.15 141.4 50.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -157.65 160.71 38.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -102.77 140.82 36.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.4 mp -140.33 167.59 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.69 59.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mtmt 179.17 136.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.907 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.8 OUTLIER -84.82 -40.69 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -30.48 93.23 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.5 pt? -55.46 -50.62 69.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 28.8 mtt180 -79.1 -33.05 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.6 mmp_? -62.17 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -42.01 -37.22 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttp -41.9 -41.67 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.9 tt0 -100.45 -46.74 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -44.87 -68.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -54.44 -25.06 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.08 -3.14 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.3 tptt -97.48 -28.55 13.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -49.07 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 13.8 tp60 -93.0 -41.88 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.54 -23.9 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -48.25 66.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.77 -12.81 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.85 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.79 -9.07 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 93' ' ' ARG . 4.8 m -126.73 131.17 51.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 19.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 3.5 ttp180 -97.72 80.51 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 24.8 p90 -84.53 121.8 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 pp -157.47 159.6 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' N ' HD12 ' A' ' 66' ' ' LEU . 21.1 t80 -98.13 -42.42 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.31 -67.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.55 40.27 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -156.7 45.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 37.83 50.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 178.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HG2' HD13 ' A' ' 89' ' ' ILE . 6.3 mp0 -138.4 -179.48 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.88 -89.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -103.01 45.37 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.07 -18.16 63.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -75.67 144.17 76.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -8.82 20.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 -9.11 22.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.3 t70 -100.81 -41.2 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.709 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.1 pp -67.89 -43.59 78.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -17.57 64.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -76.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.7 tt0 -68.22 169.04 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -140.59 83.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.85 95.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.999 ' OD2' HD11 ' A' ' 24' ' ' ILE . 8.3 m-20 -88.48 122.18 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.9 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.73 129.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.6 mt -151.02 170.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.487 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -110.92 130.83 55.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -109.62 111.07 22.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' C ' ' HB3' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -100.9 -179.64 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.497 ' CB ' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -103.05 153.01 20.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.482 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -156.82 78.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 96' ' ' ILE . 1.2 tp60 -160.15 134.88 7.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 5.0 mp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.872 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.5 OUTLIER -82.55 128.69 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 4.4 m-70 -85.72 122.49 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.014 HD11 ' OD1' ' A' ' 87' ' ' ASP . 37.5 pt -156.51 178.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.8 p30 -91.62 159.83 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -133.27 140.97 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -136.23 117.87 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -104.82 121.32 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 4.9 m -112.55 141.14 46.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.01 163.24 31.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -23.48 -69.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.87 -3.24 9.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -93.66 101.78 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 3.6 pt-20 -133.5 110.05 9.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -130.91 144.21 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -137.46 117.11 13.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.68 161.1 42.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.3 143.86 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' LYS . 3.1 mp -139.26 166.75 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 23' ' ' HIS . 4.3 mmtp -102.96 58.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 22' ' ' THR . 7.7 mtpt 178.35 133.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.872 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -82.65 -44.24 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.42 91.57 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.362 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.925 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -33.44 -54.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -37.7 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -57.04 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -47.15 -37.21 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -41.44 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.1 -46.59 4.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.6 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.46 -19.9 6.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.41 -6.43 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -90.18 -27.74 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.71 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 1.4 tm0? -80.81 -44.66 18.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.61 -26.48 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -53.4 -47.08 69.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.0 mt-10 -84.23 -14.05 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 mtt 38.72 29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -97.07 -13.92 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.625 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.8 p -109.16 117.46 34.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -130.15 38.91 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 92' ' ' HIS . 25.9 ttt180 -120.11 100.57 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.7 p90 -98.08 111.75 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -160.07 163.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.726 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -109.22 -44.68 3.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.922 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -107.37 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.62 37.05 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -150.54 33.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 1.5 mtm-85 52.99 57.65 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.2 pt -118.69 168.17 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.0 mp0 -134.33 179.21 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.353 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.3 -90.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.28 43.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.716 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.6 tm0? -66.37 -7.78 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.2 m -96.52 148.18 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.01 -14.83 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -98.68 -9.27 24.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.38 -32.89 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.669 ' HB2' HG23 ' A' ' 42' ' ' THR . 2.7 pp -74.67 -36.27 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -21.58 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -79.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.32 165.63 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 1.2 p-10 -143.02 82.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -176.74 100.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.014 ' OD1' HD11 ' A' ' 24' ' ' ILE . 26.8 m-20 -89.17 114.91 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.938 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.39 131.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.925 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.51 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.5 tt0 -121.39 134.59 55.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -115.19 95.85 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ARG . 2.3 m80 -79.73 174.44 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -98.24 143.1 29.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -160.82 79.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -159.06 139.92 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 41' ' ' LYS . 6.3 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.753 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -121.71 133.35 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.541 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -80.43 121.13 25.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.576 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD2' ' A' ' 87' ' ' ASP . 23.2 pt -154.13 177.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 7.7 p30 -90.21 163.34 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.895 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -137.47 144.07 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -137.34 128.58 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -117.43 129.26 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 8.1 p -123.96 133.96 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.89 169.2 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -18.13 -77.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -120.31 -2.95 10.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 20.4 t -100.04 99.93 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -143.76 113.74 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 55' ' ' ARG . 2.9 tt -137.22 172.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.22 128.38 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.96 160.36 41.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.801 ' C ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -96.04 144.62 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.5 mp -143.09 168.12 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.531 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -104.15 59.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.753 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.55 -42.7 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.37 93.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.899 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -33.77 4.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.5 pt? -56.38 -52.97 62.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.73 -35.09 52.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.895 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.3 mmp_? -60.36 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -42.9 -36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.5 tmm? -40.82 -42.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.7 -39.75 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.81 -67.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.867 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.28 -22.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.86 -5.52 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -96.14 -25.07 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.15 -53.29 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.0 tm0? -91.28 -39.45 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.27 -21.33 2.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -42.36 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.09 -15.89 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 mtm 45.45 28.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -100.69 -10.46 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.7 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -122.25 124.93 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.7 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -139.81 34.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 22.1 ttt180 -107.99 101.07 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.1 p90 -95.69 118.04 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.1 pp -157.96 176.53 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.816 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.2 t80 -116.36 -41.88 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -123.16 -69.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.86 47.02 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.723 HD11 HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -160.17 32.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 35.2 mtp180 52.14 45.85 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -104.25 170.24 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.841 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.1 mt-30 -137.92 177.31 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.74 -89.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -101.53 41.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.591 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.6 tm0? -63.07 -8.46 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.584 HG22 ' HD2' ' A' ' 78' ' ' PRO . 8.2 m -92.25 145.09 30.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 -8.08 19.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.501 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.2 tt0 -100.52 -16.06 17.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.8 t0 -95.19 -34.11 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.582 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.4 pp -72.96 -43.51 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.72 -29.89 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -96.56 -75.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -58.43 159.1 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 24' ' ' ILE . 2.5 p-10 -138.76 82.99 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 24' ' ' ILE . 11.9 t-20 -178.26 95.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.2 m-20 -85.64 119.7 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.234 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.918 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.65 129.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 44' ' ' PRO . 5.5 mt -148.44 170.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.0 tt0 -115.53 135.18 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.867 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -111.08 137.32 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.539 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -125.92 -178.32 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.4 mmt85 -102.17 139.64 37.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -160.53 79.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -157.47 120.12 3.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.824 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.7 OUTLIER -161.51 144.7 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.9 m-70 -87.51 125.97 34.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.1 pt -157.74 179.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 4.1 p-10 -93.55 158.31 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -127.8 143.93 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 2.5 tptp -142.25 111.25 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -102.56 121.54 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.6 p -110.65 141.41 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.901 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -153.07 156.88 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.88 -72.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -3.42 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -100.07 105.99 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.51 134.8 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.524 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.95 147.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.51 123.43 11.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -160.14 161.26 33.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 67.7 mttt -93.13 144.75 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.5 mp -140.56 165.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtm -102.64 59.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.62 141.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.824 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.54 -43.8 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.392 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.85 95.38 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.984 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -52.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -37.97 -54.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.8 mmt180 -73.19 -35.71 66.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -64.03 -78.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -40.22 -37.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -39.55 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.77 -67.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.739 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -54.53 -26.21 30.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.46 -6.65 58.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -94.92 -25.1 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -53.73 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.28 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 56' ' ' GLN . 25.1 mttt -52.75 -47.75 67.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -84.07 -13.29 53.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.8 ttm 38.4 29.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -99.35 -9.78 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 17.9 m -128.79 130.88 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -144.94 17.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -79.48 100.69 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 12.6 m-85 -85.73 104.71 15.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.994 HD11 ' HA2' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -142.59 157.5 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -118.75 -32.59 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -135.51 -72.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.994 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -167.92 44.71 0.24 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.811 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.96 43.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 4.2 ptm85 38.73 52.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.53 169.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.22 175.83 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.5 -97.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -96.17 42.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.7 tm0? -64.37 -9.04 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.751 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -95.51 146.39 31.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.751 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.07 -18.25 18.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -6.25 57.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -100.03 -54.44 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HB2' HG23 ' A' ' 42' ' ' THR . 3.5 pp -52.3 -33.31 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -24.77 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.582 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 6.0 mmt -101.03 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -62.05 170.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.19 82.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -176.88 101.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.869 ' OD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.53 113.35 24.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.89 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.98 131.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.984 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.7 mt -150.9 169.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -118.11 124.84 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.901 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -109.83 91.75 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -78.83 -179.11 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.629 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.521 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -84.75 144.04 28.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 64' ' ' ARG . 18.5 tt0 -158.45 79.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.77 119.89 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.843 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -86.88 128.07 35.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.6 m-70 -86.21 122.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' OD1' ' A' ' 87' ' ' ASP . 25.5 pt -156.92 -178.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 6.7 p-10 -98.94 164.61 12.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -135.05 133.26 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 105.6 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.598 ' HA ' HD11 ' A' ' 48' ' ' LEU . 1.1 m -91.06 117.42 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.2 t -89.81 134.48 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.599 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.6 t0 -162.66 142.64 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.15 -74.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -122.43 -2.57 8.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.487 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -83.98 -15.49 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.003 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -36.83 108.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -134.28 156.6 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -132.77 140.67 48.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -157.32 160.75 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -103.45 149.9 24.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -152.73 168.75 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.26 61.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.4 ttmt 179.16 138.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.843 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.23 -47.06 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -31.71 92.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.817 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.9 pt? -40.22 -34.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.0 OUTLIER -99.88 -25.29 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -71.28 -67.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -54.79 -30.34 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 20.2 ttp -47.38 -40.85 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.6 tm-20 -101.2 -43.27 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -46.42 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.838 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -53.16 -27.55 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.06 -11.6 56.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' GLU . 1.8 tptt -91.68 -28.39 17.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.1 -56.45 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 40.3 tp60 -83.25 -43.23 16.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.46 -19.5 4.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -55.06 -46.19 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.2 mm-40 -90.6 -8.13 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm 39.65 29.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 m-20 -97.11 -10.04 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.509 ' OG ' ' CG ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -116.75 121.34 41.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -130.58 33.22 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -110.92 101.32 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.25 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.653 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -104.52 115.32 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 67' ' ' TYR . 2.3 pp -161.27 -179.32 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.9 t80 -117.12 -39.59 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.706 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -124.91 -68.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.555 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.75 36.39 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 ' CZ ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -156.01 48.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.07 49.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -105.32 167.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.549 ' NE2' ' HG3' ' A' ' 76' ' ' GLN . 4.3 mp0 -132.33 -178.83 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -95.21 -99.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -86.63 45.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' HG3' ' NE2' ' A' ' 73' ' ' GLN . 3.8 tm0? -71.84 -2.85 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.604 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.79 143.46 31.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 -16.7 20.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' CE ' ' A' ' 83' ' ' MET . 67.7 mt-10 -95.78 -27.05 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLU . 13.4 t70 -76.68 -48.82 17.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.695 HD13 HG23 ' A' ' 42' ' ' THR . 4.0 pp -53.86 -43.35 69.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.511 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -67.82 -22.83 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.494 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.73 -82.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.1 tt0 -60.29 161.88 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.61 82.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.8 t30 -176.91 89.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' OD1' HD11 ' A' ' 24' ' ' ILE . 44.9 m-20 -81.72 116.45 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.829 ' C ' HD12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -154.24 136.24 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 44' ' ' PRO . 4.2 mt -152.46 178.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.722 ' H ' HG22 ' A' ' 89' ' ' ILE . 17.2 tt0 -120.68 139.88 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.838 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -130.06 94.7 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -84.92 -179.13 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.36 149.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.9 tt0 -156.63 79.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.13 128.9 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.826 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -155.13 153.54 30.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.413 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -91.01 117.46 29.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 42' ' ' THR . 3.4 pt -155.94 -178.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.1 p30 -105.74 151.93 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -120.13 140.63 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -132.72 110.43 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 35' ' ' ILE . 2.4 m -99.31 117.27 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.1 m -110.23 128.29 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.0 t70 -144.51 155.99 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.74 -65.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -4.97 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -100.65 99.2 9.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -132.97 114.47 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -135.22 148.96 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -136.5 127.34 27.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 35' ' ' ILE . 12.1 m-85 -153.81 161.04 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 7.9 mttt -102.17 137.2 40.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.7 mp -136.85 169.79 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -101.27 59.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD2' ' CG2' ' A' ' 43' ' ' THR . 1.3 mtmt -175.25 128.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.826 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.74 -41.49 16.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.5 t -33.21 97.07 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 1.021 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.5 pt? -37.94 -57.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 21.3 mmt85 -72.29 -38.68 68.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.723 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.75 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.27 -40.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -38.51 -42.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.5 tt0 -100.72 -51.56 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.45 -65.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.45 -19.57 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -97.08 -2.71 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' GLU . 32.0 mmtt -99.45 -24.13 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HG3' ' CB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.55 -46.84 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -100.34 -36.87 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -55.88 -17.69 16.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -56.88 -33.59 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.03 -13.99 26.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.99 29.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -100.04 -10.26 21.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.781 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -125.47 128.18 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -144.74 39.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' HIS . 36.5 ttt85 -123.08 82.67 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 35.7 p90 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -157.39 155.67 30.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.487 ' N ' HD12 ' A' ' 66' ' ' LEU . 14.3 t80 -100.7 -41.81 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.3 m-20 -110.18 -75.53 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.41 32.77 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.695 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.28 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 39.03 58.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -117.75 165.43 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.798 ' HG2' HD13 ' A' ' 89' ' ' ILE . 7.4 mp0 -136.57 -177.58 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.37 -91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -83.64 47.98 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.504 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tt0 -62.81 -9.26 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.737 HG22 ' HD2' ' A' ' 78' ' ' PRO . 3.0 m -103.88 147.13 33.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.737 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 -15.9 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.1 mt-10 -90.83 -21.34 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -86.85 -42.21 13.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.721 HD13 HG23 ' A' ' 42' ' ' THR . 4.1 pp -64.45 -38.57 91.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 81' ' ' LEU . 12.9 t0 -67.39 -19.77 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.7 mtm -100.51 -78.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 174.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.6 84.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 22.5 p-10 -174.59 95.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' OD2' ' CB ' ' A' ' 47' ' ' ARG . 9.7 t0 -93.32 84.33 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.921 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -124.82 128.93 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.021 HD11 ' HB2' ' A' ' 44' ' ' PRO . 7.5 mt -143.43 170.88 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.1 tt0 -120.69 130.31 54.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -102.54 145.33 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -132.39 -179.36 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.55 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 1.3 mmm-85 -100.31 143.27 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 3.3 mm-40 -160.09 79.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -159.6 98.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER -160.49 140.44 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.563 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -83.84 122.49 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.86 HD12 ' N ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -150.45 -178.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 9.3 p30 -103.78 141.42 36.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -119.61 158.58 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -148.72 128.41 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -109.63 131.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -122.57 117.5 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.608 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -132.83 166.62 21.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.27 -73.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -2.9 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -99.12 100.17 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.34 116.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 tp -144.1 156.54 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -132.99 130.08 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -144.1 160.88 40.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.26 134.05 41.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.7 mp -132.87 165.6 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -98.67 59.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' CD ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 179.34 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.692 HG23 HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -86.16 -41.68 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -36.23 98.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.991 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.2 pt? -44.81 -54.51 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.9 mtt180 -73.98 -38.62 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.1 mmp_? -62.69 -77.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -41.75 -38.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -39.98 -44.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -101.22 -40.66 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.24 -65.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -51.05 -39.93 57.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -76.14 -3.77 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 tptt -88.1 -29.47 20.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -61.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.69 -40.24 34.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -52.34 -18.63 5.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -100.25 -12.21 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.6 29.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -100.52 -13.18 18.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 56.3 m -124.93 128.95 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 14.37 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' HIS . 28.9 ttt180 -91.08 84.83 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 45.7 p90 -81.6 121.84 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -157.34 165.94 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 13.5 t80 -108.95 -43.89 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -115.77 -69.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.45 35.53 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.741 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -153.58 49.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.562 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER 36.69 44.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.4 pt -102.12 170.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.7 mt-30 -128.67 173.42 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -82.71 -80.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -110.33 42.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.677 ' HG2' HD13 ' A' ' 45' ' ' LEU . 2.5 tm0? -63.66 -15.04 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.6 m -71.58 138.27 83.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.372 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.0 -9.02 20.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -24.59 14.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -79.72 -47.63 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 HG23 ' A' ' 42' ' ' THR . 3.9 pp -53.55 -40.3 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.5 -21.58 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 mtm -98.29 -83.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.69 164.49 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.593 ' C ' HD12 ' A' ' 24' ' ' ILE . 7.5 p-10 -134.21 80.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.86 ' N ' HD12 ' A' ' 24' ' ' ILE . 8.8 t-20 -178.25 100.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.67 92.99 6.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.884 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -129.02 134.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.1 mt -150.49 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.599 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.7 tp10 -114.49 136.56 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 30' ' ' ASP . . . -111.01 108.48 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -98.48 171.76 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.6 148.56 23.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 2.0 tt0 -161.08 78.91 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -156.22 79.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 96' ' ' ILE . 1.4 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.866 HG23 HG23 ' A' ' 24' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CG ' ' CD ' ' A' ' 40' ' ' LYS . 1.5 t60 -90.44 103.54 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.866 HG23 HG23 ' A' ' 22' ' ' THR . 4.1 pt -138.7 -177.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 15.5 p-10 -104.02 151.98 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.832 HD12 ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -118.66 147.56 43.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.89 111.34 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.97 124.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 60.2 m -116.15 143.52 45.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.59 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 164.29 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.59 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.14 -73.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.91 -3.3 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 9.6 t -94.01 103.98 16.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -134.52 111.72 10.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -127.95 144.9 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -137.46 122.6 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -155.12 161.04 41.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 13.0 mttt -91.89 146.21 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.6 mp -142.08 151.07 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' CD ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -90.63 58.13 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 177.64 127.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.798 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.87 -41.77 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -33.56 94.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.949 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.01 -54.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -37.05 -53.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -72.25 -35.71 68.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.57 -77.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.37 -39.45 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -43.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.7 tt0 -101.42 -52.09 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -41.77 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.707 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -49.97 -44.51 50.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -70.07 -5.9 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -92.96 -25.4 18.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.05 -57.18 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.4 tp60 -87.52 -42.69 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -40.41 -26.85 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLN . 13.9 tttt -53.85 -39.98 66.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.3 tt0 -89.28 -14.46 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 tpt 37.99 29.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.02 -11.22 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.566 ' C ' HD23 ' A' ' 63' ' ' LEU . 18.4 p -117.25 122.73 44.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.93 32.72 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -106.11 102.75 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -98.85 106.81 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -153.25 174.32 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.788 ' N ' HD12 ' A' ' 66' ' ' LEU . 9.7 t80 -110.52 -48.64 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -117.04 -68.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.46 42.22 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.158 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.69 42.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 20.6 ptt180 42.2 49.7 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.41 173.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.824 ' OE1' HD13 ' A' ' 89' ' ' ILE . 20.5 mt-30 -140.56 -179.61 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 88' ' ' ILE . . . -87.97 -68.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -126.83 45.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.789 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -65.16 -8.39 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.0 m -92.26 136.16 26.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.07 -6.57 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -99.96 -11.61 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.4 t0 -95.55 -44.5 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.681 HD13 HG23 ' A' ' 42' ' ' THR . 3.7 pp -56.07 -40.78 74.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -27.7 63.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 mtm -100.62 -74.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.0 tp10 -60.4 166.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.526 ' CB ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -147.28 84.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 5.6 t-20 -175.56 94.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.832 ' OD1' HD12 ' A' ' 26' ' ' LEU . 34.8 t0 -84.28 113.15 20.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.93 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.36 129.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.949 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 89' ' ' ILE . 14.9 tt0 -116.96 139.4 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -121.89 94.51 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.68 -179.45 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.608 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -102.83 143.55 32.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.705 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.0 m-70 -86.0 128.19 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.96 ' O ' HD13 ' A' ' 39' ' ' ILE . 23.8 pt -156.94 -178.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 8.5 p30 -97.68 148.38 23.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.938 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -127.19 141.35 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -137.11 116.61 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -99.42 121.3 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -96.4 108.34 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.2 t0 -135.27 142.78 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.46 -73.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -120.84 -3.57 9.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -89.92 -0.07 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 6.8 pt-20 -49.78 108.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.41 149.0 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.96 126.46 25.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 12.1 p90 -160.82 161.33 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 1.1 mptt -89.7 152.45 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -146.96 170.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.0 mmtp -106.4 62.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 178.88 140.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.705 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -92.46 -54.84 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -30.19 91.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.91 -46.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.94 -41.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -93.59 -26.46 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.938 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.62 -66.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.4 -37.17 64.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -38.88 9.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -100.73 -42.6 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.3 -66.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.9 -29.42 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.6 -0.7 57.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -98.12 -24.17 15.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -48.1 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 5.6 tp60 -98.14 -39.1 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.93 -19.46 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -59.57 -33.97 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -94.91 -10.45 31.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.48 29.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -10.46 21.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -124.12 127.28 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.56 16.06 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' HIS . 15.2 ttt180 -88.64 96.01 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 42.1 p90 -98.05 111.76 23.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -160.47 161.71 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.9 t80 -103.94 -42.98 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.991 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.9 m-20 -116.08 -75.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.11 46.99 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -160.37 30.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER 54.38 48.21 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.8 pt -107.63 169.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 7.7 mp0 -135.02 179.53 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.04 -90.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -103.69 46.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.882 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.9 tm0? -62.98 -10.98 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.558 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.8 m -73.25 142.09 81.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.007 ' HA ' HD23 ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.04 -13.37 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.5 -29.85 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 39.1 t0 -74.45 -18.44 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.007 HD23 ' HA ' ' A' ' 78' ' ' PRO . 2.0 pp -72.98 -44.86 60.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.35 -9.89 59.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -83.78 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.77 163.99 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.55 83.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 29.5 t-20 -177.05 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.872 ' OD1' HD11 ' A' ' 24' ' ' ILE . 58.9 m-20 -82.61 121.89 27.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.936 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.74 125.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 48' ' ' LEU . 9.2 mt -148.23 159.43 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.4 tt0 -104.64 132.66 50.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -117.51 97.68 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -90.49 -179.44 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.581 ' C ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.29 150.41 20.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' HG23 ' A' ' 22' ' ' THR . 1.3 t60 -120.85 107.49 12.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.807 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.6 pt -149.02 -179.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.8 p30 -101.02 166.95 10.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.34 145.04 40.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 16.0 tptt -138.4 115.59 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -102.24 123.35 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.5 m -113.04 134.66 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.2 m-20 -149.68 159.34 44.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.582 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.52 -73.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.38 -4.83 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 4.3 t -101.49 106.47 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -145.83 129.54 17.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -145.56 157.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -137.44 126.63 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 35' ' ' ILE . 8.9 m-85 -148.5 160.84 42.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.794 ' C ' HD13 ' A' ' 39' ' ' ILE . 30.4 mttt -101.39 145.24 29.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -147.38 169.19 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -101.06 63.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 179.58 131.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -86.48 -42.18 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -35.62 94.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.907 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -41.74 -33.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -97.81 -25.66 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.75 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -51.41 -35.7 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -42.76 -41.5 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.9 tt0 -101.11 -48.3 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -45.08 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.876 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.0 -34.73 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 111.043 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 -3.0 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -97.81 -25.91 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -48.43 4.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' OE1' ' CB ' ' A' ' 33' ' ' SER . 34.4 tp60 -95.87 -41.46 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.61 -24.44 1.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.26 70.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' ASP . 4.6 tt0 -98.33 -11.43 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.7 ttm 37.79 29.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -96.45 -9.86 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.775 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.7 p -121.34 125.91 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.76 43.35 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -122.13 101.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 52' ' ' PHE . 24.0 m-85 -101.08 107.5 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.5 pp -160.08 165.77 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 1.1 t80 -104.17 -44.67 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.52 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -109.53 -74.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -177.43 40.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 69' ' ' GLY . 1.9 pp -158.14 32.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 62.89 52.7 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' A' ' 70' ' ' ILE . 60.6 mt -96.58 162.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' OE1' HD13 ' A' ' 89' ' ' ILE . 11.1 mt-30 -145.2 170.8 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.814 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.65 -87.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -107.89 44.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.681 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.0 tm0? -63.49 -9.02 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.448 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -102.16 155.27 36.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.69 -8.54 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.0 t0 -100.26 -41.06 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.609 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -74.0 -39.58 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.3 -17.94 60.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 83' ' ' MET . 22.2 ttp -100.75 -70.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.3 tp10 -75.18 165.26 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.14 83.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -176.33 92.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.807 ' OD1' HD11 ' A' ' 24' ' ' ILE . 63.0 m-20 -83.85 117.93 23.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 130.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.7 mt -151.68 171.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.476 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.1 tt0 -117.27 134.49 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.876 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -116.46 97.06 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.89 178.03 8.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -101.08 147.4 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.8 m-70 -89.38 121.84 32.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.055 HD11 ' OD1' ' A' ' 87' ' ' ASP . 28.3 pt -155.55 -179.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 21.7 p-10 -95.24 158.19 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -129.8 144.34 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -135.28 116.64 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 HG22 ' A' ' 35' ' ' ILE . 1.9 m -104.19 119.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 37.4 t -113.07 146.81 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.62 165.0 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.578 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -21.26 -71.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -3.58 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 2.7 t -94.72 107.04 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -138.51 106.96 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -129.69 147.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 4.1 p90 -134.32 132.31 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 35' ' ' ILE . 14.9 m-85 -155.53 160.89 40.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.37 144.69 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.569 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.1 mp -141.3 165.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 5.2 mmtt -102.05 59.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -88.98 -43.86 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.86 93.08 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.906 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.763 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -40.71 -57.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.3 mtt-85 -73.77 -38.63 64.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.2 mmp_? -55.97 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -45.27 -40.76 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.88 -42.29 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -100.53 -50.36 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -42.63 -67.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.709 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -54.75 -23.34 17.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -87.72 -9.78 53.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . 36.8 mmtt -89.26 -28.83 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 56' ' ' GLN . 9.4 tp60 -80.55 -45.57 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.77 -27.41 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' GLN . 14.1 tttt -53.67 -44.72 69.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -84.75 -14.18 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 36.28 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -100.09 -9.48 22.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.705 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -119.96 122.67 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.73 41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -116.33 101.27 8.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -94.19 110.9 22.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -160.28 162.52 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' N ' HD12 ' A' ' 66' ' ' LEU . 65.8 t80 -101.53 -46.18 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -118.67 -69.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.77 46.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.575 1.172 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -159.43 34.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 25.9 mtm180 47.45 49.84 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.763 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -109.14 177.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.3 mp0 -142.11 179.38 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.86 -72.54 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 45.22 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.752 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.3 tm0? -63.85 -10.84 22.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.7 m -82.38 136.66 45.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.97 -11.09 21.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' CE ' ' A' ' 83' ' ' MET . 4.6 tt0 -100.46 -8.24 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 46.7 t0 -97.03 -43.3 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.584 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.6 pp -55.86 -43.17 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.57 ' N ' HD12 ' A' ' 81' ' ' LEU . 55.7 t0 -64.8 -20.26 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -98.77 -77.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tt0 -62.51 172.07 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 82.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -177.83 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.055 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.5 m-20 -91.64 117.17 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.948 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.47 127.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.2 mt -149.44 172.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.54 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -119.18 143.75 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.709 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -126.54 98.33 5.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.22 -179.35 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.638 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -96.02 147.24 23.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.0 m-70 -83.24 124.46 30.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' HIS . 46.0 pt -156.97 -179.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.8 p30 -97.93 161.62 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.48 142.64 39.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -135.6 120.55 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.23 123.84 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.5 p -118.17 139.46 51.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.37 164.46 29.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.61 -74.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.09 -3.28 9.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.769 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 14.6 t -94.15 101.73 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.72 117.08 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -137.21 137.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -129.37 120.45 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 3.6 m-85 -153.85 161.3 42.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 22.6 mttt -100.91 145.72 28.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.1 mp -139.11 167.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -99.25 58.86 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.9 mttt 179.42 140.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.834 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -89.11 -44.9 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.857 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.11 93.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.439 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -41.7 -36.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.26 -24.1 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 1.007 ' CG ' HD13 ' A' ' 26' ' ' LEU . 4.3 tpm_? -67.79 -68.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.813 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -53.09 -36.58 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -42.51 -41.82 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -38.84 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.17 -68.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 1.014 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -56.44 -16.86 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -94.64 -3.54 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.32 -21.73 17.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -50.31 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -100.35 -38.8 8.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -48.75 -22.46 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -55.77 -37.78 68.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.78 -13.61 33.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 45.9 29.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.31 -12.56 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.676 ' C ' HD23 ' A' ' 63' ' ' LEU . 1.7 p -117.36 123.21 45.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.56 38.78 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 23.6 ttt180 -114.52 101.22 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 49.2 p90 -104.07 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -160.26 164.36 32.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.655 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.3 t80 -109.21 -41.15 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.812 ' HB2' HD11 ' A' ' 72' ' ' ILE . 14.4 m-20 -110.59 -78.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.561 ' H ' HD13 ' A' ' 70' ' ' ILE . . . -175.89 37.14 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG12 HG23 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -148.98 25.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 8.6 mtm180 62.18 51.04 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 ' HB2' ' A' ' 68' ' ' ASP . 3.2 pt -110.15 168.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 89' ' ' ILE . 27.3 mt-30 -134.98 176.85 8.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.47 -87.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.11 47.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.766 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tm0? -66.73 -8.43 28.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.676 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -92.66 144.78 29.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.92 -10.87 21.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' SD ' ' A' ' 83' ' ' MET . 36.2 mt-10 -98.53 -10.51 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.9 t0 -101.63 -48.78 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.7 pp -57.52 -46.54 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.59 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.39 -11.99 60.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -100.35 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -69.93 163.25 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -131.95 82.49 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -176.92 88.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.571 ' C ' HG22 ' A' ' 88' ' ' ILE . 95.3 m-20 -83.19 121.33 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.885 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.3 127.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.9 mt -145.86 170.23 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 29' ' ' SER . 18.0 tt0 -114.57 143.87 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -119.11 153.73 34.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -149.61 -180.0 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.2 mmt-85 -99.8 141.47 32.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.726 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.52 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.25 122.16 25.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.4 pt -156.87 -179.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.8 p-10 -107.5 152.19 24.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 3.8 tptm -128.75 113.92 15.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.7 m -95.58 120.74 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 5.6 m -110.23 141.79 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.99 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -157.35 159.84 37.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.39 -67.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.525 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -121.53 -3.49 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -100.22 102.94 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.57 114.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.89 151.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.59 146.51 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -156.17 161.22 40.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 2.1 mttt -106.31 136.83 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -138.59 168.82 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' ' 23' ' ' HIS . 2.6 tppt? -99.54 58.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 178.41 142.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.726 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.81 -45.57 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.684 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -27.34 88.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 1.012 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.33 -43.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -91.04 -27.75 18.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.785 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.41 -69.83 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.97 -38.21 49.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -42.02 -44.35 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.78 -36.82 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -59.74 -63.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.72 -17.06 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -100.15 0.01 39.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -24.92 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -55.38 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -90.54 -38.2 13.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -47.77 -22.41 1.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.96 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -13.37 30.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.1 tpp 42.81 29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.82 -10.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.641 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.91 122.94 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.04 34.65 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -110.34 101.18 9.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 29.9 p90 -98.66 116.15 30.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -160.6 167.99 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.806 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -108.79 -48.94 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.27 -68.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.15 42.85 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -158.34 44.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER 39.17 51.3 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -110.92 173.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.741 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-30 -136.3 175.54 9.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.94 -90.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -96.48 42.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.744 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.4 tm0? -68.47 -6.36 24.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.6 m -95.87 143.59 26.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.04 -16.29 20.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.76 -8.85 42.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' GLU . 7.8 t70 -100.4 -51.98 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.4 pp -55.16 -39.42 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.11 -19.54 64.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttp -100.89 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' ASP . 5.0 tp10 -65.02 166.33 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.26 95.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.692 ' OD1' HD11 ' A' ' 24' ' ' ILE . 97.5 m-20 -86.27 118.82 25.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.897 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.37 129.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.012 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.2 mt -151.06 174.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.57 ' H ' HG22 ' A' ' 89' ' ' ILE . 8.2 tt0 -124.32 140.35 53.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.99 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -126.45 99.01 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.43 -179.36 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.632 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.5 OUTLIER -96.39 149.11 22.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.773 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -81.08 125.54 30.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.616 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 13.9 pt -157.26 179.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 11.5 p30 -93.54 161.29 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.795 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -133.78 150.39 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -144.43 108.15 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 26' ' ' LEU . 1.5 m -93.23 118.71 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -94.52 105.57 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.6 t0 -131.29 143.5 50.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.59 -75.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.11 -2.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.041 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' OG ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -90.9 3.44 54.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 23.9 pt-20 -55.31 123.86 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.59 155.87 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 2.5 p90 -132.71 138.24 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -154.11 160.57 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -91.92 142.29 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.633 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.4 mp -141.33 166.96 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.634 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.2 mmmm -102.67 59.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.5 mttt 178.07 140.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.773 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.03 -42.17 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.75 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.93 94.65 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 1.003 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -29.62 8.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.6 pt? -61.1 -52.61 64.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.8 mmm180 -78.26 -35.2 48.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 8.0 mmp_? -60.88 -75.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -43.04 -41.2 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -38.2 -39.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER -100.59 -57.59 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.03 -29.06 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.17 -1.41 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.4 mmtt -100.0 -26.55 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -49.37 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 13.7 tp60 -87.61 -35.66 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.74 -14.94 17.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -49.02 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 61' ' ' ASP . 35.7 mt-10 -86.18 -10.81 54.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt 41.07 27.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 59' ' ' GLU . 1.9 m-20 -100.75 -9.19 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 1.4 m -120.43 123.68 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.31 26.59 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 27.7 ttt180 -103.6 84.94 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 52.0 p90 -86.38 119.05 26.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -160.5 164.85 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.8 t80 -110.4 -39.15 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.939 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -114.31 -74.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.579 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.99 35.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.704 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.46 37.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 16.9 mtm105 48.99 56.64 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.939 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -117.31 171.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -129.11 -179.85 5.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.19 -79.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -112.83 45.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.588 ' HG2' HD13 ' A' ' 45' ' ' LEU . 1.2 tm0? -62.33 -12.49 21.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.66 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -82.6 144.91 49.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.94 -13.43 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.556 ' O ' ' HE1' ' A' ' 83' ' ' MET . 3.9 tt0 -93.46 -25.05 17.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.2 t70 -83.14 -49.5 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 43' ' ' THR . 4.1 pp -61.85 -43.96 97.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 42.1 t0 -58.7 -29.44 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -94.2 -77.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -59.71 170.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -146.27 84.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -176.85 94.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.795 ' OD2' HD12 ' A' ' 26' ' ' LEU . 18.2 t0 -85.71 119.89 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.56 129.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.3 mt -152.14 169.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.524 ' HG2' ' CE1' ' A' ' 92' ' ' HIS . 2.1 tp10 -110.34 127.9 55.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -107.04 94.64 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.26 -177.8 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -124.36 153.34 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.809 HG22 ' HB ' ' A' ' 42' ' ' THR . 1.6 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -97.53 116.07 29.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.583 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CG ' ' A' ' 87' ' ' ASP . 4.2 pt -154.9 -179.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 12.1 p30 -111.17 155.01 23.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.886 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -124.95 145.36 49.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.91 112.92 10.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -98.83 120.4 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 28.5 p -109.8 141.6 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 31' ' ' GLY . 13.1 t0 -160.07 157.13 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -24.99 -67.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.16 -4.37 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -100.9 100.6 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 4.3 pt-20 -137.49 116.92 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -134.25 150.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -138.12 130.5 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -154.9 160.75 41.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -119.68 133.19 55.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.749 HG22 ' H ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -141.19 -179.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -99.38 71.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.627 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 2.1 mtmt 178.32 133.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.809 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -93.3 -44.95 8.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.593 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -30.85 90.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.98 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.4 pt? -33.64 -54.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -76.34 -35.09 58.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.886 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.81 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -47.74 -41.6 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttp -39.93 -44.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -42.11 6.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -56.8 -64.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.99 -17.09 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -99.62 0.56 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -94.98 -24.27 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -49.85 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 4.6 tp60 -99.05 -35.28 10.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -60.78 -13.53 32.91 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -35.3 71.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.46 -11.6 31.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.27 28.7 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.58 -12.44 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.622 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -120.75 125.72 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -140.38 31.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 50.5 ttt180 -107.79 100.44 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 17.9 p90 -104.73 118.78 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.4 pp -156.14 -179.91 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.847 ' N ' HD12 ' A' ' 66' ' ' LEU . 47.9 t80 -114.58 -48.82 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -119.0 -67.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.39 42.87 0.13 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.068 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -159.17 46.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.1 50.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.816 HD13 HD11 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -109.0 170.41 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.784 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.5 mp0 -140.76 -179.59 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.89 -99.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.49 45.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.696 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.66 -11.99 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.754 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -88.83 146.94 37.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.02 -9.97 20.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HE2' ' A' ' 83' ' ' MET . 0.3 OUTLIER -97.34 -21.64 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.8 t0 -89.64 -55.45 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 42' ' ' THR . 4.5 pp -50.5 -42.45 54.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -68.0 -27.3 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.484 ' HE2' ' O ' ' A' ' 79' ' ' GLU . 6.9 mtm -93.5 -82.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ASP . 20.6 tp10 -58.98 160.46 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -134.71 83.33 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -176.42 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.831 ' CG ' HD11 ' A' ' 24' ' ' ILE . 82.8 m-20 -85.22 119.97 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.901 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.19 130.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.784 HD13 ' HG2' ' A' ' 73' ' ' GLN . 3.8 mt -146.7 171.26 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.9 tt0 -117.94 129.93 55.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -102.97 156.21 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -147.17 -179.58 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.0 mmt-85 -106.61 139.17 41.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.768 HG23 HG23 ' A' ' 24' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 1.7 t60 -113.95 113.34 24.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.571 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.046 HD11 ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -151.31 -179.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 46.4 p-10 -98.54 157.82 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -131.36 141.45 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -135.53 115.15 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -103.05 124.37 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -108.81 145.41 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' HG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER -159.99 157.5 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -26.77 -67.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -121.59 -3.64 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.531 ' HG ' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.54 108.86 21.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.77 110.43 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -120.26 141.37 40.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -143.3 117.51 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -159.03 161.7 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 20.8 mttt -93.38 142.45 27.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.8 mp -137.44 166.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -101.19 59.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 129.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.66 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.38 -40.57 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -35.8 96.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.37 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.974 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -36.89 -55.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.3 mtt85 -68.87 -38.31 79.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.595 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -40.37 -37.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -43.04 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -100.41 -40.82 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -52.78 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CZ ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.49 -22.72 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -89.91 -5.19 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' GLU . 12.3 mttt -94.18 -22.6 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -90.62 -39.9 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -43.9 -25.57 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.53 -31.1 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -13.85 24.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 40.83 29.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 -9.52 27.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.726 ' C ' HD23 ' A' ' 63' ' ' LEU . 64.1 p -120.36 128.0 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.83 38.44 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -119.11 101.58 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 77.7 m-85 -90.73 118.54 30.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 68' ' ' ASP . 2.7 pp -160.46 161.78 32.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.454 ' CE1' HD11 ' A' ' 88' ' ' ILE . 11.6 t80 -110.66 -25.96 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.764 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -123.95 -73.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -178.74 35.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 69' ' ' GLY . 2.1 pp -159.94 37.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 0.6 OUTLIER 60.66 52.73 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 68' ' ' ASP . 59.6 mt -97.81 163.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -139.01 164.96 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.488 ' CB ' HD13 ' A' ' 88' ' ' ILE . . . -89.64 -84.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -119.56 45.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 45' ' ' LEU . 6.5 mt-30 -68.14 -7.14 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -80.58 142.3 53.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -74.98 -8.64 20.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.98 -12.0 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.242 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.6 t70 -94.42 -28.51 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 42' ' ' THR . 2.7 pp -76.1 -39.13 55.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -66.29 -29.43 69.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -75.93 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.5 tp10 -58.87 168.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -146.59 83.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.717 ' N ' HD12 ' A' ' 24' ' ' ILE . 35.8 t30 -176.05 100.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.046 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.8 m-20 -94.55 116.78 29.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.14 125.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.974 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.1 mt -152.61 174.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' H ' HG22 ' A' ' 89' ' ' ILE . 5.2 mt-10 -126.12 147.59 49.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.695 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -132.93 99.27 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.93 -179.93 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.629 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -88.53 151.22 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.869 HG23 HG23 ' A' ' 24' ' ' ILE . 1.2 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -81.08 114.65 20.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.632 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.954 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.2 pt -152.7 -179.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 17.0 p-10 -108.81 161.7 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.21 143.92 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.9 114.07 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -97.81 122.33 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -115.14 136.67 52.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.886 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 2.8 m-20 -151.53 157.46 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.6 -72.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -121.17 -4.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -100.42 102.14 13.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -132.04 122.35 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -138.93 163.92 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.4 p90 -149.9 138.98 21.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -157.35 161.07 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 13.7 mttt -103.37 140.09 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 39' ' ' ILE . 1.9 mp -141.17 149.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -81.84 58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 142.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.745 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.58 -42.98 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.543 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -29.16 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.909 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -46.72 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.7 pt? -39.13 -37.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -25.92 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.905 ' CG ' HD13 ' A' ' 26' ' ' LEU . 1.5 tpm_? -65.23 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.63 -40.48 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -41.01 -40.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.0 tt0 -100.57 -48.52 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -49.37 -66.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.62 -20.19 12.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.21 -7.68 44.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -93.16 -29.41 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -100.69 -57.07 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.73 -43.57 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.91 -25.82 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -54.14 -41.81 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.3 mt-10 -90.37 -12.23 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 25.4 ptp 36.24 31.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . 10.9 m-20 -98.73 -12.96 20.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -120.99 126.1 49.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.84 38.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CD ' ' HG3' ' A' ' 94' ' ' GLU . 20.3 ttt180 -111.13 100.68 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 44.2 p90 -85.19 101.7 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.053 HD11 ' HA2' ' A' ' 69' ' ' GLY . 2.6 tt -136.21 151.87 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' N ' HD23 ' A' ' 66' ' ' LEU . 5.3 t80 -116.91 -39.33 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 111.061 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.581 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -123.54 -70.83 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 1.053 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -172.38 45.0 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.83 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.62 43.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.9 mtm180 40.33 50.69 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 170.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 5.7 mp0 -124.33 175.62 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.51 -99.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -89.31 42.78 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.9 tm0? -67.41 -6.86 21.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.632 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.8 m -97.51 143.85 26.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.3 mt-10 -88.69 -11.63 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 -100.19 -57.42 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -51.11 -40.08 57.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.21 -26.15 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -100.39 -77.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -58.77 165.88 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -142.35 83.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.44 97.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.954 ' OD1' HD11 ' A' ' 24' ' ' ILE . 70.7 m-20 -88.12 117.86 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.889 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.27 129.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -150.54 168.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -117.26 133.43 55.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -113.5 95.05 5.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -79.29 -178.79 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -94.73 141.13 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.471 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.861 HG23 HG23 ' A' ' 24' ' ' ILE . 1.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.616 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.6 m-70 -92.76 113.87 26.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.0 HD11 ' OD2' ' A' ' 87' ' ' ASP . 6.3 pt -148.09 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.9 p30 -100.11 159.3 15.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -130.36 142.38 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 111.99 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -102.6 121.9 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.0 p -117.07 144.55 44.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 166.47 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.17 -73.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -3.28 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 43.5 t -97.42 100.36 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -139.1 108.72 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.586 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -136.34 146.59 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -129.01 126.04 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 -148.04 161.09 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -85.73 151.51 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -145.67 160.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.616 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtt -101.6 57.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HG2' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER 175.96 133.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.792 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.59 -43.83 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -34.21 93.64 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.987 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.1 pt? -43.24 -33.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -96.79 -24.87 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -73.22 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.66 -33.66 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.2 ttp -45.39 -42.47 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.0 tt0 -100.28 -45.09 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -50.74 -66.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.662 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.5 -18.22 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.37 -5.41 36.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.6 mmtp -95.96 -27.67 15.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -50.31 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 56' ' ' GLN . 10.8 tp60 -91.6 -40.36 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.64 -19.35 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -58.01 -26.7 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -12.16 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 44.69 28.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -100.35 -10.65 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.747 ' C ' HD23 ' A' ' 63' ' ' LEU . 11.1 t -107.53 112.89 25.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.34 40.81 3.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 3.2 ttm180 -143.92 81.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.2 p90 -81.63 119.24 23.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -150.69 157.91 43.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.4 t80 -103.89 -41.94 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.841 ' HB2' HD11 ' A' ' 72' ' ' ILE . 6.4 m-20 -110.15 -75.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.64 32.95 0.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.82 48.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.9 57.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -116.08 171.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.978 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.3 mt-30 -134.45 178.78 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.74 -88.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -95.49 40.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.781 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm0? -65.72 -11.78 48.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.721 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.3 m -80.39 145.72 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.721 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.02 -11.67 21.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -32.08 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.7 t70 -69.9 -40.21 75.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 42' ' ' THR . 3.6 pp -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.25 -20.03 65.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtm -100.4 -81.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.4 tp10 -62.82 163.89 8.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.83 83.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.587 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -175.79 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.0 ' OD2' HD11 ' A' ' 24' ' ' ILE . 15.1 m-20 -86.92 120.22 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.879 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.8 129.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.987 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.2 mt -152.26 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.491 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.5 tt0 -119.57 137.13 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.662 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -106.29 100.86 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -80.18 159.71 25.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.53 150.25 21.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.756 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -79.48 120.51 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.5 pt -153.8 -179.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 36.3 p-10 -97.22 169.48 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.933 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.31 143.71 40.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -132.46 115.84 16.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 35' ' ' ILE . 1.4 m -104.34 120.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 64.4 p -115.28 144.97 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.17 164.91 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -22.13 -71.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.38 -3.08 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -95.09 105.83 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.881 ' H ' HH21 ' A' ' 55' ' ' ARG . 10.1 pt-20 -138.1 109.64 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.798 HG22 HG22 ' A' ' 28' ' ' VAL . 4.8 tp -134.07 156.66 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 3.0 p90 -138.17 131.68 30.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -147.72 160.98 42.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 6.3 mtpt -107.7 140.96 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 40' ' ' LYS . 2.8 mp -139.5 171.58 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -103.5 59.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER 179.36 143.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.756 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.43 -42.33 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.54 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -31.4 93.12 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -39.33 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -95.96 -26.46 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.933 ' CG ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -66.58 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.66 -38.98 82.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' MET . 2.6 tpt -41.92 -42.49 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.2 tt0 -100.12 -45.64 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.537 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -51.97 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.2 -24.65 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.71 -4.38 55.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' GLU . 7.0 tptt -91.88 -29.1 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.881 HH21 ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -101.85 -57.34 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 14.2 tp60 -82.38 -38.39 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.92 -16.86 6.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -60.05 -35.92 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.87 -0.86 53.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.512 ' O ' HD21 ' A' ' 63' ' ' LEU . 2.1 mmt 38.38 29.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' GLU . 9.8 t70 -100.92 -9.44 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.669 ' C ' HD23 ' A' ' 63' ' ' LEU . 40.9 t -102.58 103.04 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.669 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -129.44 38.66 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 1.7 ttt180 -138.85 80.7 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 26.4 p90 -82.43 119.75 24.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -160.02 158.42 30.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -102.03 -42.17 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.792 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -116.84 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.53 41.56 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.567 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -157.45 40.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 6.1 ptt180 43.92 48.75 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.1 pt -105.08 173.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.972 ' HG2' HD13 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -137.17 -179.87 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.14 -88.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.62 44.76 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.662 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.3 tm0? -65.66 -9.53 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.9 m -92.64 146.21 31.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.739 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -13.72 21.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.86 -9.74 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.13 -42.77 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.0 pp -66.47 -38.85 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -73.68 -12.64 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 84' ' ' GLU . 3.9 ttp -101.26 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -89.56 177.51 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.78 83.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 24' ' ' ILE . 9.1 t-20 -177.14 98.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.0 m-20 -87.65 120.04 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.898 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.54 128.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.972 HD13 ' HG2' ' A' ' 73' ' ' GLN . 2.3 mt -150.9 172.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.534 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.3 tt0 -117.13 136.5 52.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.437 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -111.81 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.508 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 m-70 -83.87 155.02 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.622 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.2 mmm-85 -97.04 143.46 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.846 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.3 m-70 -85.21 121.34 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.0 pt -158.1 -178.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.7 p-10 -110.44 149.41 30.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.831 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -116.48 143.43 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 6.6 tptm -135.87 111.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -97.29 122.08 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.0 m -112.07 143.15 43.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.076 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.912 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 m-20 -158.05 160.04 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.54 -74.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.544 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -121.68 -3.82 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 2.9 t -100.4 109.22 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 128.39 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.95 151.42 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 1.3 p90 -135.84 132.87 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -151.88 161.06 43.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.865 ' C ' HD12 ' A' ' 39' ' ' ILE . 10.1 mmtt -102.01 145.27 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.2 mp -146.32 161.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -94.88 59.22 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 22.0 pttt -179.96 142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.846 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.08 -47.58 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -27.8 90.14 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.766 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -38.56 -39.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -92.9 -27.09 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -68.08 -69.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -51.34 -38.13 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -41.21 -42.52 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -42.25 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.87 -66.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.835 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.79 -16.87 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 0.15 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -97.05 -25.52 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -51.19 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 34.4 tp60 -94.24 -40.19 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.3 -23.14 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -31.87 68.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -99.75 -11.0 21.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.17 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -95.06 -9.74 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.711 ' C ' HD23 ' A' ' 63' ' ' LEU . 9.1 p -116.85 124.72 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.48 39.67 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -119.49 100.79 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 48.3 p90 -99.76 114.3 27.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -160.41 172.11 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.932 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.6 t80 -116.61 -48.83 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.9 m-20 -107.11 -74.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' C ' HG23 ' A' ' 70' ' ' ILE . . . -174.71 37.12 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.71 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -153.47 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 ptt180 43.6 56.68 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -114.95 164.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' OE1' HD13 ' A' ' 89' ' ' ILE . 15.3 mt-30 -127.06 178.37 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.97 -76.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -118.44 46.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.812 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -65.68 -9.65 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.1 m -77.33 144.31 70.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.641 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.61 -44.9 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 26.9 t0 -53.95 -38.11 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 42' ' ' THR . 3.5 pp -60.03 -40.9 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 81' ' ' LEU . 27.4 t0 -70.43 -17.19 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.534 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 11.5 mmt -100.79 -79.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -59.77 161.98 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.81 82.72 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -176.96 93.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.601 ' C ' HG22 ' A' ' 88' ' ' ILE . 2.8 m-20 -82.54 116.03 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.949 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 128.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.8 mt -148.64 171.34 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.4 tt0 -120.88 133.31 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.912 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -120.72 94.54 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.76 177.38 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -98.46 147.53 24.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' NE ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.907 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 3.9 m-70 -85.51 124.7 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.999 HD11 ' OD2' ' A' ' 87' ' ' ASP . 25.5 pt -156.65 -179.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.5 p-10 -97.64 155.63 16.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -127.01 144.77 50.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 110.28 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.1 m -95.54 121.53 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -101.05 106.55 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' GLY . 16.5 t0 -132.08 147.83 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.21 -76.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -121.1 -2.65 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -85.44 -10.95 55.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -40.44 112.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 158.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.15 141.4 50.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -157.65 160.71 38.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -102.77 140.82 36.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.4 mp -140.33 167.59 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.69 59.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mtmt 179.17 136.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.907 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.8 OUTLIER -84.82 -40.69 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -30.48 93.23 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.5 pt? -55.46 -50.62 69.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 28.8 mtt180 -79.1 -33.05 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.6 mmp_? -62.17 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -42.01 -37.22 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttp -41.9 -41.67 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.9 tt0 -100.45 -46.74 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -44.87 -68.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -54.44 -25.06 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.08 -3.14 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.3 tptt -97.48 -28.55 13.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -49.07 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 13.8 tp60 -93.0 -41.88 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.54 -23.9 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -48.25 66.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.77 -12.81 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.85 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.79 -9.07 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 93' ' ' ARG . 4.8 m -126.73 131.17 51.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 19.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 3.5 ttp180 -97.72 80.51 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 24.8 p90 -84.53 121.8 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 pp -157.47 159.6 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' N ' HD12 ' A' ' 66' ' ' LEU . 21.1 t80 -98.13 -42.42 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.31 -67.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.55 40.27 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -156.7 45.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 37.83 50.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 178.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HG2' HD13 ' A' ' 89' ' ' ILE . 6.3 mp0 -138.4 -179.48 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.88 -89.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -103.01 45.37 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.07 -18.16 63.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -75.67 144.17 76.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -8.82 20.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 -9.11 22.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.3 t70 -100.81 -41.2 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.709 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.1 pp -67.89 -43.59 78.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -17.57 64.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -76.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.7 tt0 -68.22 169.04 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -140.59 83.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.85 95.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.999 ' OD2' HD11 ' A' ' 24' ' ' ILE . 8.3 m-20 -88.48 122.18 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.73 129.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.6 mt -151.02 170.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.487 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -110.92 130.83 55.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -109.62 111.07 22.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.406 ' C ' ' HB3' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -100.9 -179.64 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.497 ' CB ' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -103.05 153.01 20.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.482 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.872 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 4.4 m-70 -85.72 122.49 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.014 HD11 ' OD1' ' A' ' 87' ' ' ASP . 37.5 pt -156.51 178.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 2.3 p-10 -91.62 159.83 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -133.27 140.97 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -136.23 117.87 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -104.82 121.32 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 4.9 m -112.55 141.14 46.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.01 163.24 31.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -23.48 -69.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.87 -3.24 9.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -93.66 101.78 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 3.6 pt-20 -133.5 110.05 9.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -130.91 144.21 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -137.46 117.11 13.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.68 161.1 42.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.3 143.86 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' LYS . 3.1 mp -139.26 166.75 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 23' ' ' HIS . 4.3 mmtp -102.96 58.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 22' ' ' THR . 7.7 mtpt 178.35 133.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.872 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -82.65 -44.24 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.42 91.57 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.362 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.925 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -33.44 -54.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -37.7 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -57.04 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -47.15 -37.21 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -41.44 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.1 -46.59 4.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.6 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.46 -19.9 6.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.41 -6.43 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -90.18 -27.74 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.71 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 1.4 tm0? -80.81 -44.66 18.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.61 -26.48 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -53.4 -47.08 69.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.0 mt-10 -84.23 -14.05 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 mtt 38.72 29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -97.07 -13.92 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.625 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.8 p -109.16 117.46 34.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -130.15 38.91 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 92' ' ' HIS . 25.9 ttt180 -120.11 100.57 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 47.7 p90 -98.08 111.75 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -160.07 163.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.726 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -109.22 -44.68 3.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.922 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -107.37 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.62 37.05 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -150.54 33.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 1.5 mtm-85 52.99 57.65 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.2 pt -118.69 168.17 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HG2' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -134.33 179.21 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.353 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.3 -90.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.28 43.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.716 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.6 tm0? -66.37 -7.78 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.2 m -96.52 148.18 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.01 -14.83 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -98.68 -9.27 24.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.38 -32.89 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.669 ' HB2' HG23 ' A' ' 42' ' ' THR . 2.7 pp -74.67 -36.27 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -21.58 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -79.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.32 165.63 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p-10 -143.02 82.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -176.74 100.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.014 ' OD1' HD11 ' A' ' 24' ' ' ILE . 26.8 m-20 -89.17 114.91 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.938 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.39 131.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.925 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.51 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.5 tt0 -121.39 134.59 55.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -115.19 95.85 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ARG . 2.3 m80 -79.73 174.44 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -98.24 143.1 29.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.753 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.541 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -80.43 121.13 25.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.576 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD2' ' A' ' 87' ' ' ASP . 23.2 pt -154.13 177.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 7.7 p30 -90.21 163.34 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.895 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -137.47 144.07 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -137.34 128.58 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -117.43 129.26 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 8.1 p -123.96 133.96 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.89 169.2 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -18.13 -77.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -120.31 -2.95 10.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 20.4 t -100.04 99.93 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -143.76 113.74 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 55' ' ' ARG . 2.9 tt -137.22 172.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.22 128.38 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.96 160.36 41.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.801 ' C ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -96.04 144.62 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.5 mp -143.09 168.12 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.531 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -104.15 59.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.26 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.753 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.55 -42.7 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.37 93.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.899 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -33.77 4.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.5 pt? -56.38 -52.97 62.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.73 -35.09 52.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.895 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.3 mmp_? -60.36 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -42.9 -36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.5 tmm? -40.82 -42.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.7 -39.75 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.81 -67.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.867 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.28 -22.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.86 -5.52 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -96.14 -25.07 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.15 -53.29 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' NE2' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -91.28 -39.45 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.27 -21.33 2.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -42.36 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.09 -15.89 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 mtm 45.45 28.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -100.69 -10.46 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.7 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -122.25 124.93 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.7 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -139.81 34.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 22.1 ttt180 -107.99 101.07 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.1 p90 -95.69 118.04 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.1 pp -157.96 176.53 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.816 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.2 t80 -116.36 -41.88 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -123.16 -69.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.86 47.02 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.723 HD11 HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -160.17 32.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 35.2 mtp180 52.14 45.85 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -104.25 170.24 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.841 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.1 mt-30 -137.92 177.31 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.74 -89.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -101.53 41.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.591 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.6 tm0? -63.07 -8.46 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.584 HG22 ' HD2' ' A' ' 78' ' ' PRO . 8.2 m -92.25 145.09 30.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 -8.08 19.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.501 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.2 tt0 -100.52 -16.06 17.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.8 t0 -95.19 -34.11 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.582 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.4 pp -72.96 -43.51 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.72 -29.89 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -96.56 -75.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -58.43 159.1 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 24' ' ' ILE . 2.5 p-10 -138.76 82.99 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 24' ' ' ILE . 11.9 t-20 -178.26 95.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.2 m-20 -85.64 119.7 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.234 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.918 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.65 129.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 44' ' ' PRO . 5.5 mt -148.44 170.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.524 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.0 tt0 -115.53 135.18 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.867 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -111.08 137.32 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.539 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -125.92 -178.32 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.4 mmt85 -102.17 139.64 37.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.824 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.9 m-70 -87.51 125.97 34.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.1 pt -157.74 179.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 4.1 p-10 -93.55 158.31 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -127.8 143.93 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 2.5 tptp -142.25 111.25 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -102.56 121.54 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.6 p -110.65 141.41 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.901 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -153.07 156.88 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.88 -72.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -3.42 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -100.07 105.99 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.51 134.8 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.524 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.95 147.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.51 123.43 11.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -160.14 161.26 33.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 67.7 mttt -93.13 144.75 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.5 mp -140.56 165.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtm -102.64 59.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.62 141.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.824 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.54 -43.8 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.392 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.85 95.38 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.984 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -52.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -37.97 -54.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.8 mmt180 -73.19 -35.71 66.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -64.03 -78.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -40.22 -37.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -39.55 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.77 -67.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.739 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -54.53 -26.21 30.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.46 -6.65 58.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -94.92 -25.1 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -53.73 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.28 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 56' ' ' GLN . 25.1 mttt -52.75 -47.75 67.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -84.07 -13.29 53.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.8 ttm 38.4 29.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -99.35 -9.78 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 17.9 m -128.79 130.88 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -144.94 17.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -79.48 100.69 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 12.6 m-85 -85.73 104.71 15.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.994 HD11 ' HA2' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -142.59 157.5 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -118.75 -32.59 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -135.51 -72.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.994 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -167.92 44.71 0.24 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.811 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.96 43.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 4.2 ptm85 38.73 52.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.53 169.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.22 175.83 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.5 -97.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.407 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -96.17 42.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.7 tm0? -64.37 -9.04 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.751 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -95.51 146.39 31.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.751 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.07 -18.25 18.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -6.25 57.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -100.03 -54.44 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HB2' HG23 ' A' ' 42' ' ' THR . 3.5 pp -52.3 -33.31 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -24.77 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.582 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 6.0 mmt -101.03 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -62.05 170.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.19 82.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.426 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -176.88 101.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.869 ' OD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.53 113.35 24.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.98 131.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.984 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.7 mt -150.9 169.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -118.11 124.84 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.901 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -109.83 91.75 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -78.83 -179.11 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.629 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.521 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -84.75 144.04 28.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 64' ' ' ARG . 18.5 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.843 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.6 m-70 -86.21 122.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' OD1' ' A' ' 87' ' ' ASP . 25.5 pt -156.92 -178.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 6.7 p-10 -98.94 164.61 12.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -135.05 133.26 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 105.6 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.598 ' HA ' HD11 ' A' ' 48' ' ' LEU . 1.1 m -91.06 117.42 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.2 t -89.81 134.48 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.599 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.6 t0 -162.66 142.64 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.15 -74.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -122.43 -2.57 8.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.487 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -83.98 -15.49 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.003 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -36.83 108.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -134.28 156.6 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -132.77 140.67 48.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -157.32 160.75 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -103.45 149.9 24.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -152.73 168.75 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.26 61.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.4 ttmt 179.16 138.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.843 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.23 -47.06 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -31.71 92.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.817 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.9 pt? -40.22 -34.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.0 OUTLIER -99.88 -25.29 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -71.28 -67.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -54.79 -30.34 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 20.2 ttp -47.38 -40.85 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.6 tm-20 -101.2 -43.27 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -46.42 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.838 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -53.16 -27.55 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.06 -11.6 56.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' GLU . 1.8 tptt -91.68 -28.39 17.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.1 -56.45 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 40.3 tp60 -83.25 -43.23 16.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.46 -19.5 4.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -55.06 -46.19 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.2 mm-40 -90.6 -8.13 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm 39.65 29.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 m-20 -97.11 -10.04 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.509 ' OG ' ' CG ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -116.75 121.34 41.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -130.58 33.22 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -110.92 101.32 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.25 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.653 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -104.52 115.32 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 67' ' ' TYR . 2.3 pp -161.27 -179.32 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.9 t80 -117.12 -39.59 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.706 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -124.91 -68.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.555 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.75 36.39 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 ' CZ ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -156.01 48.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.07 49.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -105.32 167.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.495 HE21 ' N ' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -132.33 -178.83 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -95.21 -99.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.451 ' N ' ' OD2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -86.63 45.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.528 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.8 tm0? -71.84 -2.85 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.604 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.79 143.46 31.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 -16.7 20.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' CE ' ' A' ' 83' ' ' MET . 67.7 mt-10 -95.78 -27.05 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLU . 13.4 t70 -76.68 -48.82 17.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.695 HD13 HG23 ' A' ' 42' ' ' THR . 4.0 pp -53.86 -43.35 69.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.511 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -67.82 -22.83 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.494 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.73 -82.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.1 tt0 -60.29 161.88 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.61 82.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.8 t30 -176.91 89.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.945 ' OD1' HD11 ' A' ' 24' ' ' ILE . 44.9 m-20 -81.72 116.45 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.829 ' C ' HD12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -154.24 136.24 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 44' ' ' PRO . 4.2 mt -152.46 178.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.722 ' H ' HG22 ' A' ' 89' ' ' ILE . 17.2 tt0 -120.68 139.88 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.838 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -130.06 94.7 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -84.92 -179.13 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.36 149.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.826 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -91.01 117.46 29.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 42' ' ' THR . 3.4 pt -155.94 -178.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.1 p30 -105.74 151.93 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -120.13 140.63 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -132.72 110.43 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 35' ' ' ILE . 2.4 m -99.31 117.27 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.1 m -110.23 128.29 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.0 t70 -144.51 155.99 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.74 -65.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -4.97 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -100.65 99.2 9.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -132.97 114.47 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -135.22 148.96 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -136.5 127.34 27.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 35' ' ' ILE . 12.1 m-85 -153.81 161.04 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 7.9 mttt -102.17 137.2 40.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.7 mp -136.85 169.79 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.541 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -101.27 59.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD2' ' CG2' ' A' ' 43' ' ' THR . 1.3 mtmt -175.25 128.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.826 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.74 -41.49 16.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.5 t -33.21 97.07 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 1.021 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.5 pt? -37.94 -57.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 21.3 mmt85 -72.29 -38.68 68.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.723 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.75 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.27 -40.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -38.51 -42.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.5 tt0 -100.72 -51.56 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.45 -65.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.45 -19.57 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -97.08 -2.71 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' GLU . 32.0 mmtt -99.45 -24.13 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HG3' ' CB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.55 -46.84 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -100.34 -36.87 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -55.88 -17.69 16.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -56.88 -33.59 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.03 -13.99 26.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.99 29.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -100.04 -10.26 21.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.781 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -125.47 128.18 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -144.74 39.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' HIS . 36.5 ttt85 -123.08 82.67 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 35.7 p90 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -157.39 155.67 30.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.487 ' N ' HD12 ' A' ' 66' ' ' LEU . 14.3 t80 -100.7 -41.81 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.3 m-20 -110.18 -75.53 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.546 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.41 32.77 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.695 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.28 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 39.03 58.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -117.75 165.43 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.798 ' HG2' HD13 ' A' ' 89' ' ' ILE . 7.4 mp0 -136.57 -177.58 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.37 -91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -83.64 47.98 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.504 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tt0 -62.81 -9.26 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.737 HG22 ' HD2' ' A' ' 78' ' ' PRO . 3.0 m -103.88 147.13 33.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.737 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 -15.9 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.1 mt-10 -90.83 -21.34 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -86.85 -42.21 13.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.721 HD13 HG23 ' A' ' 42' ' ' THR . 4.1 pp -64.45 -38.57 91.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 81' ' ' LEU . 12.9 t0 -67.39 -19.77 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.7 mtm -100.51 -78.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 174.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.6 84.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 22.5 p-10 -174.59 95.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' OD2' ' CB ' ' A' ' 47' ' ' ARG . 9.7 t0 -93.32 84.33 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.921 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -124.82 128.93 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 1.021 HD11 ' HB2' ' A' ' 44' ' ' PRO . 7.5 mt -143.43 170.88 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.1 tt0 -120.69 130.31 54.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -102.54 145.33 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -132.39 -179.36 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.55 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 1.3 mmm-85 -100.31 143.27 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 3.3 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.424 -0.214 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.563 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -83.84 122.49 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.86 HD12 ' N ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -150.45 -178.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 2.7 p-10 -103.78 141.42 36.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -119.61 158.58 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -148.72 128.41 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -109.63 131.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -122.57 117.5 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.608 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -132.83 166.62 21.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.27 -73.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -2.9 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -99.12 100.17 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.34 116.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 tp -144.1 156.54 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -132.99 130.08 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -144.1 160.88 40.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.26 134.05 41.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.7 mp -132.87 165.6 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -98.67 59.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' CD ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 179.34 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.692 HG23 HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -86.16 -41.68 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -36.23 98.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.991 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.2 pt? -44.81 -54.51 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.9 mtt180 -73.98 -38.62 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.1 mmp_? -62.69 -77.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -41.75 -38.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -39.98 -44.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -101.22 -40.66 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.24 -65.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -51.05 -39.93 57.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -76.14 -3.77 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 tptt -88.1 -29.47 20.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -61.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.69 -40.24 34.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -52.34 -18.63 5.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -100.25 -12.21 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.6 29.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -100.52 -13.18 18.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 56.3 m -124.93 128.95 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 14.37 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' HIS . 28.9 ttt180 -91.08 84.83 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 45.7 p90 -81.6 121.84 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -157.34 165.94 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 13.5 t80 -108.95 -43.89 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -115.77 -69.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.543 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.45 35.53 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.741 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -153.58 49.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.562 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER 36.69 44.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.4 pt -102.12 170.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.7 mt-30 -128.67 173.42 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -82.71 -80.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -110.33 42.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.677 ' HG2' HD13 ' A' ' 45' ' ' LEU . 2.5 tm0? -63.66 -15.04 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.6 m -71.58 138.27 83.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.372 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.0 -9.02 20.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -24.59 14.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -79.72 -47.63 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 HG23 ' A' ' 42' ' ' THR . 3.9 pp -53.55 -40.3 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.5 -21.58 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 mtm -98.29 -83.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.69 164.49 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.593 ' C ' HD12 ' A' ' 24' ' ' ILE . 7.5 p-10 -134.21 80.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.86 ' N ' HD12 ' A' ' 24' ' ' ILE . 8.8 t-20 -178.25 100.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.67 92.99 6.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.884 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -129.02 134.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.1 mt -150.49 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.599 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.7 tp10 -114.49 136.56 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 30' ' ' ASP . . . -111.01 108.48 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -98.48 171.76 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.6 148.56 23.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 2.0 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.58 ' HB2' HG22 ' A' ' 42' ' ' THR . 2.0 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.866 HG23 HG23 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -159.14 153.28 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CG ' ' CD ' ' A' ' 40' ' ' LYS . 1.5 t60 -90.44 103.54 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.866 HG23 HG23 ' A' ' 22' ' ' THR . 4.1 pt -138.7 -177.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 15.5 p-10 -104.02 151.98 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.832 HD12 ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -118.66 147.56 43.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.89 111.34 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.97 124.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 60.2 m -116.15 143.52 45.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.59 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 164.29 29.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.59 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.14 -73.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.91 -3.3 9.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 9.6 t -94.01 103.98 16.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -134.52 111.72 10.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -127.95 144.9 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -137.46 122.6 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -155.12 161.04 41.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 13.0 mttt -91.89 146.21 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 24' ' ' ILE . 1.6 mp -142.08 151.07 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' CD ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -90.63 58.13 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt 177.64 127.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.798 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.87 -41.77 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -33.56 94.68 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.949 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.01 -54.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -37.05 -53.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -72.25 -35.71 68.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.57 -77.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.37 -39.45 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -43.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.7 tt0 -101.42 -52.09 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -41.77 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.707 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -49.97 -44.51 50.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -70.07 -5.9 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER -92.96 -25.4 18.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.05 -57.18 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.4 tp60 -87.52 -42.69 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -40.41 -26.85 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLN . 13.9 tttt -53.85 -39.98 66.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.757 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 10.3 tt0 -89.28 -14.46 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 tpt 37.99 29.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.02 -11.22 23.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.566 ' C ' HD23 ' A' ' 63' ' ' LEU . 18.4 p -117.25 122.73 44.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.93 32.72 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -106.11 102.75 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -98.85 106.81 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -153.25 174.32 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.788 ' N ' HD12 ' A' ' 66' ' ' LEU . 9.7 t80 -110.52 -48.64 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -117.04 -68.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.46 42.22 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.158 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -156.69 42.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 20.6 ptt180 42.2 49.7 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.41 173.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.824 ' OE1' HD13 ' A' ' 89' ' ' ILE . 20.5 mt-30 -140.56 -179.61 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' HD13 ' A' ' 88' ' ' ILE . . . -87.97 -68.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -126.83 45.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.789 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -65.16 -8.39 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.0 m -92.26 136.16 26.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.07 -6.57 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -99.96 -11.61 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.4 t0 -95.55 -44.5 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.681 HD13 HG23 ' A' ' 42' ' ' THR . 3.7 pp -56.07 -40.78 74.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -27.7 63.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 mtm -100.62 -74.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.0 tp10 -60.4 166.62 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.526 ' CB ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -147.28 84.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 5.6 t-20 -175.56 94.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.832 ' OD1' HD12 ' A' ' 26' ' ' LEU . 34.8 t0 -84.28 113.15 20.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.93 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.36 129.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.949 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 89' ' ' ILE . 14.9 tt0 -116.96 139.4 50.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -121.89 94.51 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.499 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.68 -179.45 6.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.608 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -102.83 143.55 32.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -161.23 79.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -154.3 96.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.722 HD12 ' C ' ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.705 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -84.8 132.2 34.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.412 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.0 m-70 -86.0 128.19 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.96 ' O ' HD13 ' A' ' 39' ' ' ILE . 23.8 pt -156.94 -178.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 8.5 p30 -97.68 148.38 23.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -127.19 141.35 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -137.11 116.61 12.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -99.42 121.3 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -96.4 108.34 20.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.2 t0 -135.27 142.78 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.46 -73.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 t -120.84 -3.57 9.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.474 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -89.92 -0.07 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 6.8 pt-20 -49.78 108.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.41 149.0 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.96 126.46 25.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 12.1 p90 -160.82 161.33 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 1.1 mptt -89.7 152.45 21.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -146.96 170.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.598 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.0 mmtp -106.4 62.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 178.88 140.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.705 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -92.46 -54.84 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -30.19 91.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.546 ' N ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.91 -46.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.94 -41.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -93.59 -26.46 17.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.938 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.62 -66.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.4 -37.17 64.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.26 -38.88 9.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -100.73 -42.6 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.3 -66.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.9 -29.42 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.6 -0.7 57.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -98.12 -24.17 15.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -48.1 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 5.6 tp60 -98.14 -39.1 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.93 -19.46 7.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -59.57 -33.97 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -94.91 -10.45 31.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.48 29.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -10.46 21.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -124.12 127.28 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.56 16.06 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' HIS . 15.2 ttt180 -88.64 96.01 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 42.1 p90 -98.05 111.76 23.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -160.47 161.71 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.9 t80 -103.94 -42.98 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.991 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.9 m-20 -116.08 -75.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.11 46.99 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.662 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -160.37 30.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER 54.38 48.21 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.8 pt -107.63 169.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' GLN . 7.7 mp0 -135.02 179.53 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.04 -90.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -103.69 46.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.882 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.9 tm0? -62.98 -10.98 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.558 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.8 m -73.25 142.09 81.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.007 ' HA ' HD23 ' A' ' 81' ' ' LEU . 18.2 Cg_endo -75.04 -13.37 21.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.5 -29.85 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 39.1 t0 -74.45 -18.44 60.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.007 HD23 ' HA ' ' A' ' 78' ' ' PRO . 2.0 pp -72.98 -44.86 60.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.35 -9.89 59.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -83.78 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.77 163.99 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.55 83.38 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 29.5 t-20 -177.05 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.872 ' OD1' HD11 ' A' ' 24' ' ' ILE . 58.9 m-20 -82.61 121.89 27.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.936 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.74 125.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 48' ' ' LEU . 9.2 mt -148.23 159.43 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 66' ' ' LEU . 17.4 tt0 -104.64 132.66 50.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -117.51 97.68 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -90.49 -179.44 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.581 ' C ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -96.29 150.41 20.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 tt0 -160.78 79.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -160.39 151.38 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.642 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -154.32 -178.12 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' N ' HG23 ' A' ' 22' ' ' THR . 1.3 t60 -120.85 107.49 12.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.807 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.6 pt -149.02 -179.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.8 p30 -101.02 166.95 10.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.34 145.04 40.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 16.0 tptt -138.4 115.59 11.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -102.24 123.35 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.5 m -113.04 134.66 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.2 m-20 -149.68 159.34 44.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.582 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.52 -73.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.38 -4.83 9.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 4.3 t -101.49 106.47 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -145.83 129.54 17.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -145.56 157.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -137.44 126.63 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 35' ' ' ILE . 8.9 m-85 -148.5 160.84 42.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.794 ' C ' HD13 ' A' ' 39' ' ' ILE . 30.4 mttt -101.39 145.24 29.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -147.38 169.19 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HD3' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -101.06 63.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 179.58 131.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.642 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.2 OUTLIER -86.48 -42.18 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -35.62 94.78 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.907 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -48.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -41.74 -33.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -97.81 -25.66 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.75 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -51.41 -35.7 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -42.76 -41.5 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.9 tt0 -101.11 -48.3 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -45.08 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.876 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.0 -34.73 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 111.043 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 -3.0 42.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -97.81 -25.91 14.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -48.43 4.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' OE1' ' CB ' ' A' ' 33' ' ' SER . 34.4 tp60 -95.87 -41.46 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.61 -24.44 1.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.26 70.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 61' ' ' ASP . 4.6 tt0 -98.33 -11.43 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.7 ttm 37.79 29.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -96.45 -9.86 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.775 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.7 p -121.34 125.91 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.76 43.35 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 0.1 OUTLIER -122.13 101.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' CE2' ' A' ' 52' ' ' PHE . 24.0 m-85 -101.08 107.5 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.5 pp -160.08 165.77 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 1.1 t80 -104.17 -44.67 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.52 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -109.53 -74.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -177.43 40.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 69' ' ' GLY . 1.9 pp -158.14 32.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 0.797 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 62.89 52.7 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' CD1' HG13 ' A' ' 70' ' ' ILE . 60.6 mt -96.58 162.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' OE1' HD13 ' A' ' 89' ' ' ILE . 11.1 mt-30 -145.2 170.8 15.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.814 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.65 -87.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -107.89 44.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.681 ' O ' HD13 ' A' ' 45' ' ' LEU . 7.0 tm0? -63.49 -9.02 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.448 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -102.16 155.27 36.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.81 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.69 -8.54 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.0 t0 -100.26 -41.06 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.609 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -74.0 -39.58 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.3 -17.94 60.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 83' ' ' MET . 22.2 ttp -100.75 -70.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.3 tp10 -75.18 165.26 25.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.14 83.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -176.33 92.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.807 ' OD1' HD11 ' A' ' 24' ' ' ILE . 63.0 m-20 -83.85 117.93 23.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 130.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.7 mt -151.68 171.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.1 tt0 -117.27 134.49 54.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.876 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -116.46 97.06 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.89 178.03 8.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -101.08 147.4 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -161.01 79.41 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.33 119.81 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 42' ' ' THR . 23.0 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER -160.95 146.55 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 5.8 m-70 -89.38 121.84 32.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.594 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.055 HD11 ' OD1' ' A' ' 87' ' ' ASP . 28.3 pt -155.55 -179.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 21.7 p-10 -95.24 158.19 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -129.8 144.34 51.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -135.28 116.64 14.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 HG22 ' A' ' 35' ' ' ILE . 1.9 m -104.19 119.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 37.4 t -113.07 146.81 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.62 165.0 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.578 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -21.26 -71.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.17 -3.58 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 2.7 t -94.72 107.04 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -138.51 106.96 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -129.69 147.81 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 35' ' ' ILE . 4.1 p90 -134.32 132.31 39.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 35' ' ' ILE . 14.9 m-85 -155.53 160.89 40.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.37 144.69 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.569 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.1 mp -141.3 165.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 5.2 mmtt -102.05 59.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 178.62 140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.808 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -88.98 -43.86 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -30.86 93.08 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.906 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.763 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.7 pt? -40.71 -57.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.3 mtt-85 -73.77 -38.63 64.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 26' ' ' LEU . 1.2 mmp_? -55.97 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -45.27 -40.76 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.88 -42.29 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -100.53 -50.36 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -42.63 -67.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.709 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -54.75 -23.34 17.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -87.72 -9.78 53.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . 36.8 mmtt -89.26 -28.83 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -59.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 56' ' ' GLN . 9.4 tp60 -80.55 -45.57 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.77 -27.41 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' GLN . 14.1 tttt -53.67 -44.72 69.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -84.75 -14.18 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 36.28 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -100.09 -9.48 22.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.705 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -119.96 122.67 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.73 41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -116.33 101.27 8.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -94.19 110.9 22.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -160.28 162.52 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' N ' HD12 ' A' ' 66' ' ' LEU . 65.8 t80 -101.53 -46.18 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -118.67 -69.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.77 46.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.575 1.172 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.763 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -159.43 34.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 25.9 mtm180 47.45 49.84 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.763 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -109.14 177.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.3 mp0 -142.11 179.38 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.86 -72.54 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 45.22 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.752 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.3 tm0? -63.85 -10.84 22.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.7 m -82.38 136.66 45.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.4 Cg_endo -74.97 -11.09 21.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' CE ' ' A' ' 83' ' ' MET . 4.6 tt0 -100.46 -8.24 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 46.7 t0 -97.03 -43.3 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.584 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.6 pp -55.86 -43.17 76.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.57 ' N ' HD12 ' A' ' 81' ' ' LEU . 55.7 t0 -64.8 -20.26 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -98.77 -77.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.4 tt0 -62.51 172.07 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 82.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -177.83 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.055 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.5 m-20 -91.64 117.17 29.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.948 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.47 127.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.2 mt -149.44 172.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.54 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -119.18 143.75 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.709 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -126.54 98.33 5.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.22 -179.35 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.638 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -96.02 147.24 23.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -160.34 78.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -159.05 116.61 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 96' ' ' ILE . 1.7 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -92.71 123.66 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' ILE . 4.0 m-70 -83.24 124.46 30.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 23' ' ' HIS . 46.0 pt -156.97 -179.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.8 p30 -97.93 161.62 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.48 142.64 39.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -135.6 120.55 18.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.23 123.84 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.5 p -118.17 139.46 51.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.37 164.46 29.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.61 -74.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.09 -3.28 9.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.769 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 14.6 t -94.15 101.73 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -136.72 117.08 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -137.21 137.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -129.37 120.45 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' CD1' ' A' ' 35' ' ' ILE . 3.6 m-85 -153.85 161.3 42.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 22.6 mttt -100.91 145.72 28.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.1 mp -139.11 167.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -99.25 58.86 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.9 mttt 179.42 140.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.834 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -89.11 -44.9 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.857 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.11 93.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.439 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -41.7 -36.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.26 -24.1 16.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 1.007 ' CG ' HD13 ' A' ' 26' ' ' LEU . 4.3 tpm_? -67.79 -68.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.813 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -53.09 -36.58 60.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -42.51 -41.82 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -38.84 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.17 -68.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 1.014 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -56.44 -16.86 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -94.64 -3.54 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.32 -21.73 17.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -50.31 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -100.35 -38.8 8.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -48.75 -22.46 2.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -55.77 -37.78 68.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -90.78 -13.61 33.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 45.9 29.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.31 -12.56 19.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.676 ' C ' HD23 ' A' ' 63' ' ' LEU . 1.7 p -117.36 123.21 45.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.56 38.78 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 23.6 ttt180 -114.52 101.22 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 49.2 p90 -104.07 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -160.26 164.36 32.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.655 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.3 t80 -109.21 -41.15 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.812 ' HB2' HD11 ' A' ' 72' ' ' ILE . 14.4 m-20 -110.59 -78.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.561 ' H ' HD13 ' A' ' 70' ' ' ILE . . . -175.89 37.14 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG12 HG23 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -148.98 25.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 8.6 mtm180 62.18 51.04 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 ' HB2' ' A' ' 68' ' ' ASP . 3.2 pt -110.15 168.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 89' ' ' ILE . 27.3 mt-30 -134.98 176.85 8.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.47 -87.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.11 47.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.766 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tm0? -66.73 -8.43 28.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.676 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -92.66 144.78 29.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.676 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.92 -10.87 21.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' SD ' ' A' ' 83' ' ' MET . 36.2 mt-10 -98.53 -10.51 23.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.9 t0 -101.63 -48.78 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.7 pp -57.52 -46.54 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.59 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.39 -11.99 60.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -100.35 -77.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -69.93 163.25 26.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -131.95 82.49 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -176.92 88.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.571 ' C ' HG22 ' A' ' 88' ' ' ILE . 95.3 m-20 -83.19 121.33 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.885 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.3 127.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.9 mt -145.86 170.23 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 29' ' ' SER . 18.0 tt0 -114.57 143.87 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.014 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -119.11 153.73 34.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -149.61 -180.0 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.2 mmt-85 -99.8 141.47 32.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -160.6 78.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -158.22 112.75 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.726 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER -149.5 135.24 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.52 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -79.25 122.16 25.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.4 pt -156.87 -179.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.8 p-10 -107.5 152.19 24.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -125.12 142.2 51.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 3.8 tptm -128.75 113.92 15.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.7 m -95.58 120.74 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 5.6 m -110.23 141.79 42.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.99 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -157.35 159.84 37.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.39 -67.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.525 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -121.53 -3.49 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -100.22 102.94 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.57 114.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.89 151.11 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.59 146.51 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -156.17 161.22 40.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 2.1 mttt -106.31 136.83 45.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -138.59 168.82 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' ' 23' ' ' HIS . 2.6 tppt? -99.54 58.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 178.41 142.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.726 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.81 -45.57 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.684 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -27.34 88.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 1.012 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -37.33 -43.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -91.04 -27.75 18.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.785 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.41 -69.83 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.97 -38.21 49.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -42.02 -44.35 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.78 -36.82 8.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -59.74 -63.71 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.72 -17.06 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -100.15 0.01 39.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -24.92 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -55.38 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -90.54 -38.2 13.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -47.77 -22.41 1.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -35.96 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -13.37 30.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.1 tpp 42.81 29.33 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.82 -10.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.641 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.91 122.94 44.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.978 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.641 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -138.04 34.65 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -110.34 101.18 9.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 29.9 p90 -98.66 116.15 30.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -160.6 167.99 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.806 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -108.79 -48.94 3.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.27 -68.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.15 42.85 0.14 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -158.34 44.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER 39.17 51.3 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -110.92 173.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.741 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.5 mt-30 -136.3 175.54 9.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.94 -90.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -96.48 42.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.744 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.4 tm0? -68.47 -6.36 24.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.599 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.6 m -95.87 143.59 26.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.04 -16.29 20.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.76 -8.85 42.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' GLU . 7.8 t70 -100.4 -51.98 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 43' ' ' THR . 3.4 pp -55.16 -39.42 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.11 -19.54 64.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.3 ttp -100.89 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' ASP . 5.0 tp10 -65.02 166.33 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 83.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.26 95.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.692 ' OD1' HD11 ' A' ' 24' ' ' ILE . 97.5 m-20 -86.27 118.82 25.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.897 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.37 129.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.012 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.2 mt -151.06 174.43 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.57 ' H ' HG22 ' A' ' 89' ' ' ILE . 8.2 tt0 -124.32 140.35 53.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.99 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -126.45 99.01 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.43 -179.36 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.632 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.5 OUTLIER -96.39 149.11 22.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.64 79.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.37 113.11 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.773 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -94.03 124.61 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.634 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.0 m-70 -81.08 125.54 30.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.616 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' HIS . 13.9 pt -157.26 179.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 11.5 p30 -93.54 161.29 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.795 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -133.78 150.39 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -144.43 108.15 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 26' ' ' LEU . 1.5 m -93.23 118.71 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -94.52 105.57 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.6 t0 -131.29 143.5 50.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.59 -75.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.11 -2.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.041 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' OG ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -90.9 3.44 54.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 23.9 pt-20 -55.31 123.86 15.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.59 155.87 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 2.5 p90 -132.71 138.24 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -154.11 160.57 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -91.92 142.29 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.633 HD13 ' HB3' ' A' ' 26' ' ' LEU . 4.4 mp -141.33 166.96 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.634 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.2 mmmm -102.67 59.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 22' ' ' THR . 3.5 mttt 178.07 140.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.773 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.03 -42.17 11.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.75 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -32.93 94.65 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 1.003 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -29.62 8.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.6 pt? -61.1 -52.61 64.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.8 mmm180 -78.26 -35.2 48.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 8.0 mmp_? -60.88 -75.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -43.04 -41.2 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -38.2 -39.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER -100.59 -57.59 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -54.03 -29.06 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.17 -1.41 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.4 mmtt -100.0 -26.55 13.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -49.37 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 13.7 tp60 -87.61 -35.66 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.74 -14.94 17.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -49.02 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 61' ' ' ASP . 35.7 mt-10 -86.18 -10.81 54.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt 41.07 27.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 59' ' ' GLU . 1.9 m-20 -100.75 -9.19 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 1.4 m -120.43 123.68 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -137.31 26.59 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 27.7 ttt180 -103.6 84.94 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 52.0 p90 -86.38 119.05 26.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -160.5 164.85 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.8 t80 -110.4 -39.15 5.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.939 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -114.31 -74.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.579 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.99 35.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.704 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.46 37.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 16.9 mtm105 48.99 56.64 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.939 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -117.31 171.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -129.11 -179.85 5.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.19 -79.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -112.83 45.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.588 ' HG2' HD13 ' A' ' 45' ' ' LEU . 1.2 tm0? -62.33 -12.49 21.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.66 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -82.6 144.91 49.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.94 -13.43 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.556 ' O ' ' HE1' ' A' ' 83' ' ' MET . 3.9 tt0 -93.46 -25.05 17.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.2 t70 -83.14 -49.5 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 43' ' ' THR . 4.1 pp -61.85 -43.96 97.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 42.1 t0 -58.7 -29.44 66.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.556 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -94.2 -77.52 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.3 tt0 -59.71 170.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.7 OUTLIER -146.27 84.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -176.85 94.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.795 ' OD2' HD12 ' A' ' 26' ' ' LEU . 18.2 t0 -85.71 119.89 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.56 129.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.3 mt -152.14 169.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' HG2' ' CE1' ' A' ' 92' ' ' HIS . 2.1 tp10 -110.34 127.9 55.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -107.04 94.64 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -84.26 -177.8 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.623 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -124.36 153.34 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.54 78.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -142.26 111.96 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.809 HG22 ' HB ' ' A' ' 42' ' ' THR . 1.6 t -146.53 166.88 25.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CG ' ' HD3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -97.53 116.07 29.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.583 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CG ' ' A' ' 87' ' ' ASP . 4.2 pt -154.9 -179.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 12.1 p30 -111.17 155.01 23.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.886 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -124.95 145.36 49.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.91 112.92 10.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -98.83 120.4 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 28.5 p -109.8 141.6 42.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 31' ' ' GLY . 13.1 t0 -160.07 157.13 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -24.99 -67.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.16 -4.37 9.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 0.739 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -100.9 100.6 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 4.3 pt-20 -137.49 116.92 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -134.25 150.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -138.12 130.5 29.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.948 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -154.9 160.75 41.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -119.68 133.19 55.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.749 HG22 ' H ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -141.19 -179.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.749 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -99.38 71.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.627 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 2.1 mtmt 178.32 133.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.809 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.6 OUTLIER -93.3 -44.95 8.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.593 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -30.85 90.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.98 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.4 pt? -33.64 -54.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -76.34 -35.09 58.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.886 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.81 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -47.74 -41.6 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.2 ttp -39.93 -44.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -42.11 6.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -56.8 -64.8 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.99 -17.09 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -99.62 0.56 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -94.98 -24.27 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.39 -49.85 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 4.6 tp60 -99.05 -35.28 10.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -60.78 -13.53 32.91 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -35.3 71.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.46 -11.6 31.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.27 28.7 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.58 -12.44 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.622 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -120.75 125.72 48.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.622 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -140.38 31.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 50.5 ttt180 -107.79 100.44 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 17.9 p90 -104.73 118.78 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.4 pp -156.14 -179.91 8.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.847 ' N ' HD12 ' A' ' 66' ' ' LEU . 47.9 t80 -114.58 -48.82 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -119.0 -67.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.39 42.87 0.13 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.068 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -159.17 46.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.1 50.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.816 HD13 HD11 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -109.0 170.41 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.784 ' HG2' HD13 ' A' ' 89' ' ' ILE . 3.5 mp0 -140.76 -179.59 6.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.89 -99.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.49 45.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.696 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -66.66 -11.99 56.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.754 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.7 m -88.83 146.94 37.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.754 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.02 -9.97 20.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HE2' ' A' ' 83' ' ' MET . 0.3 OUTLIER -97.34 -21.64 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.8 t0 -89.64 -55.45 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 42' ' ' THR . 4.5 pp -50.5 -42.45 54.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.547 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -68.0 -27.3 66.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.484 ' HE2' ' O ' ' A' ' 79' ' ' GLU . 6.9 mtm -93.5 -82.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ASP . 20.6 tp10 -58.98 160.46 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -134.71 83.33 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -176.42 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.831 ' CG ' HD11 ' A' ' 24' ' ' ILE . 82.8 m-20 -85.22 119.97 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.901 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.19 130.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.784 HD13 ' HG2' ' A' ' 73' ' ' GLN . 3.8 mt -146.7 171.26 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.9 tt0 -117.94 129.93 55.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -102.97 156.21 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -147.17 -179.58 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 2.0 mmt-85 -106.61 139.17 41.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -160.46 85.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -156.72 104.85 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.749 HD12 ' C ' ' A' ' 96' ' ' ILE . 1.5 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.768 HG23 HG23 ' A' ' 24' ' ' ILE . 1.8 t -135.33 -179.4 5.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 1.7 t60 -113.95 113.34 24.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.571 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.046 HD11 ' OD2' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -151.31 -179.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 46.4 p-10 -98.54 157.82 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -131.36 141.45 49.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -135.53 115.15 12.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -103.05 124.37 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' C ' ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -108.81 145.41 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' HG ' ' A' ' 33' ' ' SER . 1.0 OUTLIER -159.99 157.5 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -26.77 -67.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -121.59 -3.64 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.531 ' HG ' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.54 108.86 21.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.77 110.43 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -120.26 141.37 40.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -143.3 117.51 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -159.03 161.7 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 20.8 mttt -93.38 142.45 27.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.8 mp -137.44 166.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -101.19 59.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 129.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.66 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.38 -40.57 23.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -35.8 96.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.37 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.974 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.5 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -36.89 -55.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.3 mtt85 -68.87 -38.31 79.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.595 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -40.37 -37.8 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -43.04 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -100.41 -40.82 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -52.78 -68.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CZ ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.49 -22.72 22.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -89.91 -5.19 57.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' GLU . 12.3 mttt -94.18 -22.6 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -58.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -90.62 -39.9 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -43.9 -25.57 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.53 -31.1 63.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -13.85 24.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 40.83 29.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 -9.52 27.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.726 ' C ' HD23 ' A' ' 63' ' ' LEU . 64.1 p -120.36 128.0 52.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.83 38.44 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -119.11 101.58 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 77.7 m-85 -90.73 118.54 30.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 68' ' ' ASP . 2.7 pp -160.46 161.78 32.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.454 ' CE1' HD11 ' A' ' 88' ' ' ILE . 11.6 t80 -110.66 -25.96 9.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.764 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -123.95 -73.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -178.74 35.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 69' ' ' GLY . 2.1 pp -159.94 37.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 0.6 OUTLIER 60.66 52.73 4.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.764 HD12 ' HB2' ' A' ' 68' ' ' ASP . 59.6 mt -97.81 163.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -139.01 164.96 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' CB ' HD13 ' A' ' 88' ' ' ILE . . . -89.64 -84.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -119.56 45.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.772 ' O ' HD13 ' A' ' 45' ' ' LEU . 6.5 mt-30 -68.14 -7.14 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.5 m -80.58 142.3 53.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -74.98 -8.64 20.28 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.98 -12.0 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.242 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 84' ' ' GLU . 3.6 t70 -94.42 -28.51 15.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 42' ' ' THR . 2.7 pp -76.1 -39.13 55.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -66.29 -29.43 69.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.59 -75.93 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 80' ' ' ASP . 2.5 tp10 -58.87 168.06 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -146.59 83.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.717 ' N ' HD12 ' A' ' 24' ' ' ILE . 35.8 t30 -176.05 100.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.046 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.8 m-20 -94.55 116.78 29.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.14 125.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.974 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.1 mt -152.61 174.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' H ' HG22 ' A' ' 89' ' ' ILE . 5.2 mt-10 -126.12 147.59 49.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.695 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -132.93 99.27 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.93 -179.93 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.629 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -88.53 151.22 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -160.41 78.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -160.36 119.64 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.704 HD12 ' C ' ' A' ' 96' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 5.2 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.869 HG23 HG23 ' A' ' 24' ' ' ILE . 1.2 t -157.33 144.5 18.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -81.08 114.65 20.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.632 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.954 HD11 ' OD1' ' A' ' 87' ' ' ASP . 9.2 pt -152.7 -179.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 17.0 p-10 -108.81 161.7 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.905 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -130.21 143.92 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.9 114.07 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -97.81 122.33 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -115.14 136.67 52.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.886 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 2.8 m-20 -151.53 157.46 42.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.6 -72.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 t -121.17 -4.04 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -100.42 102.14 13.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -132.04 122.35 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -138.93 163.92 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' N ' HG23 ' A' ' 35' ' ' ILE . 4.4 p90 -149.9 138.98 21.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -157.35 161.07 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 25' ' ' ASN . 13.7 mttt -103.37 140.09 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 39' ' ' ILE . 1.9 mp -141.17 149.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -81.84 58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 178.98 142.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.745 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.58 -42.98 11.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.543 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -29.16 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.909 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.94 -46.72 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.7 pt? -39.13 -37.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -25.92 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.905 ' CG ' HD13 ' A' ' 26' ' ' LEU . 1.5 tpm_? -65.23 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -54.63 -40.48 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -41.01 -40.76 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 2.0 tt0 -100.57 -48.52 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -49.37 -66.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.62 -20.19 12.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.21 -7.68 44.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -93.16 -29.41 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -100.69 -57.07 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.73 -43.57 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.91 -25.82 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -54.14 -41.81 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.3 mt-10 -90.37 -12.23 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 25.4 ptp 36.24 31.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . 10.9 m-20 -98.73 -12.96 20.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -120.99 126.1 49.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -143.84 38.4 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CD ' ' HG3' ' A' ' 94' ' ' GLU . 20.3 ttt180 -111.13 100.68 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 44.2 p90 -85.19 101.7 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.053 HD11 ' HA2' ' A' ' 69' ' ' GLY . 2.6 tt -136.21 151.87 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' N ' HD23 ' A' ' 66' ' ' LEU . 5.3 t80 -116.91 -39.33 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 111.061 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.581 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -123.54 -70.83 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 1.053 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -172.38 45.0 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.83 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.62 43.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 1.9 mtm180 40.33 50.69 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 170.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 76' ' ' GLN . 5.7 mp0 -124.33 175.62 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.51 -99.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -89.31 42.78 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.598 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.9 tm0? -67.41 -6.86 21.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.632 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.8 m -97.51 143.85 26.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.3 mt-10 -88.69 -11.63 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 -100.19 -57.42 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.2 pp -51.11 -40.08 57.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.21 -26.15 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.479 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.8 ttm -100.39 -77.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -58.77 165.88 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -142.35 83.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.44 97.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.954 ' OD1' HD11 ' A' ' 24' ' ' ILE . 70.7 m-20 -88.12 117.86 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.889 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.27 129.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -150.54 168.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -117.26 133.43 55.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.331 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -113.5 95.05 5.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -79.29 -178.79 6.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -94.73 141.13 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.471 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -159.7 79.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -158.89 99.94 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 81' ' ' LEU . 29.0 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.861 HG23 HG23 ' A' ' 24' ' ' ILE . 1.6 t -139.98 156.12 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.616 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.6 m-70 -92.76 113.87 26.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.0 HD11 ' OD2' ' A' ' 87' ' ' ASP . 6.3 pt -148.09 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 10.9 p30 -100.11 159.3 15.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -130.36 142.38 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 111.99 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -102.6 121.9 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 5.0 p -117.07 144.55 44.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.5 166.47 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -20.17 -73.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.24 -3.28 9.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 43.5 t -97.42 100.36 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -139.1 108.72 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.586 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -136.34 146.59 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -129.01 126.04 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 35' ' ' ILE . 3.0 m-85 -148.04 161.09 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -85.73 151.51 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -145.67 160.06 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.616 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtt -101.6 57.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HG2' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER 175.96 133.15 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.792 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.59 -43.83 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -34.21 93.64 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.987 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.1 pt? -43.24 -33.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -96.79 -24.87 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -73.22 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HG13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -50.66 -33.66 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 1.2 ttp -45.39 -42.47 10.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.0 tt0 -100.28 -45.09 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -50.74 -66.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.662 ' CD1' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.5 -18.22 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.37 -5.41 36.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.6 mmtp -95.96 -27.67 15.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -50.31 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 56' ' ' GLN . 10.8 tp60 -91.6 -40.36 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.64 -19.35 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -58.01 -26.7 62.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -12.16 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 44.69 28.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' OD1' ' NE2' ' A' ' 95' ' ' GLN . 37.9 t70 -100.35 -10.65 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.747 ' C ' HD23 ' A' ' 63' ' ' LEU . 11.1 t -107.53 112.89 25.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -133.34 40.81 3.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 3.2 ttm180 -143.92 81.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.2 p90 -81.63 119.24 23.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -150.69 157.91 43.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.4 t80 -103.89 -41.94 5.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.841 ' HB2' HD11 ' A' ' 72' ' ' ILE . 6.4 m-20 -110.15 -75.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.64 32.95 0.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.82 48.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.9 57.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.841 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -116.08 171.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.978 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.3 mt-30 -134.45 178.78 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.74 -88.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -95.49 40.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.781 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.1 tm0? -65.72 -11.78 48.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.721 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.3 m -80.39 145.72 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.721 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.02 -11.67 21.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -32.08 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 10.7 t70 -69.9 -40.21 75.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 42' ' ' THR . 3.6 pp -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -67.25 -20.03 65.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.5 mtm -100.4 -81.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 80' ' ' ASP . 7.4 tp10 -62.82 163.89 8.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.83 83.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.587 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 m-20 -175.79 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.0 ' OD2' HD11 ' A' ' 24' ' ' ILE . 15.1 m-20 -86.92 120.22 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.879 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.8 129.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.987 HD11 ' HB2' ' A' ' 44' ' ' PRO . 1.2 mt -152.26 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.491 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.5 tt0 -119.57 137.13 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.662 ' CB ' ' CD1' ' A' ' 52' ' ' PHE . . . -106.29 100.86 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.522 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -80.18 159.71 25.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.613 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.53 150.25 21.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.98 78.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.7 tt0 -160.19 117.52 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 9.4 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.756 HG22 ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER -157.44 136.93 12.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -79.48 120.51 23.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD1' ' A' ' 87' ' ' ASP . 14.5 pt -153.8 -179.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 36.3 p-10 -97.22 169.48 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.933 HD13 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -138.31 143.71 40.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -132.46 115.84 16.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 35' ' ' ILE . 1.4 m -104.34 120.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 64.4 p -115.28 144.97 42.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.17 164.91 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -22.13 -71.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.38 -3.08 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -95.09 105.83 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.881 ' H ' HH21 ' A' ' 55' ' ' ARG . 10.1 pt-20 -138.1 109.64 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.798 HG22 HG22 ' A' ' 28' ' ' VAL . 4.8 tp -134.07 156.66 41.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CB ' ' HD2' ' A' ' 27' ' ' LYS . 3.0 p90 -138.17 131.68 30.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -147.72 160.98 42.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 6.3 mtpt -107.7 140.96 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 40' ' ' LYS . 2.8 mp -139.5 171.58 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -103.5 59.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER 179.36 143.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.756 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.43 -42.33 10.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.54 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -31.4 93.12 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.903 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.95 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.8 pt? -39.33 -37.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -95.96 -26.46 15.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.933 ' CG ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -66.58 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.66 -38.98 82.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' MET . 2.6 tpt -41.92 -42.49 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.2 tt0 -100.12 -45.64 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.537 ' CB ' HD21 ' A' ' 26' ' ' LEU . . . -51.97 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.2 -24.65 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.71 -4.38 55.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' GLU . 7.0 tptt -91.88 -29.1 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.881 HH21 ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -101.85 -57.34 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.269 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 14.2 tp60 -82.38 -38.39 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.92 -16.86 6.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -60.05 -35.92 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.87 -0.86 53.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.512 ' O ' HD21 ' A' ' 63' ' ' LEU . 2.1 mmt 38.38 29.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' GLU . 9.8 t70 -100.92 -9.44 21.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.669 ' C ' HD23 ' A' ' 63' ' ' LEU . 40.9 t -102.58 103.04 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.669 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -129.44 38.66 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 1.7 ttt180 -138.85 80.7 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 26.4 p90 -82.43 119.75 24.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.742 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -160.02 158.42 30.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -102.03 -42.17 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.792 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -116.84 -71.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 70' ' ' ILE . . . -174.53 41.56 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.567 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -157.45 40.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 6.1 ptt180 43.92 48.75 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.1 pt -105.08 173.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.972 ' HG2' HD13 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -137.17 -179.87 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.14 -88.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.62 44.76 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.662 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.3 tm0? -65.66 -9.53 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.9 m -92.64 146.21 31.87 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.739 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -13.72 21.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.86 -9.74 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.13 -42.77 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.0 pp -66.47 -38.85 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -73.68 -12.64 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 84' ' ' GLU . 3.9 ttp -101.26 -59.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -89.56 177.51 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.78 83.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' N ' HD12 ' A' ' 24' ' ' ILE . 9.1 t-20 -177.14 98.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD1' HD11 ' A' ' 24' ' ' ILE . 4.0 m-20 -87.65 120.04 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.898 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.54 128.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.972 HD13 ' HG2' ' A' ' 73' ' ' GLN . 2.3 mt -150.9 172.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.534 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.3 tt0 -117.13 136.5 52.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.437 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -111.81 100.95 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.508 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 m-70 -83.87 155.02 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.622 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.2 mmm-85 -97.04 143.46 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.19 78.88 0.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -149.44 107.2 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.846 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -161.73 145.81 12.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 6.3 m-70 -85.21 121.34 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' HIS . 3.0 pt -158.1 -178.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 8.7 p-10 -110.44 149.41 30.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.831 HD13 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -116.48 143.43 45.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 6.6 tptm -135.87 111.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -97.29 122.08 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.0 m -112.07 143.15 43.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.076 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.912 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 4.3 m-20 -158.05 160.04 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.54 -74.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.544 ' H ' ' NH2' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -121.68 -3.82 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' OD2' ' A' ' 30' ' ' ASP . 2.9 t -100.4 109.22 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 128.39 18.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -142.95 151.42 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 1.3 p90 -135.84 132.87 37.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -151.88 161.06 43.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.865 ' C ' HD12 ' A' ' 39' ' ' ILE . 10.1 mmtt -102.01 145.27 29.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.2 mp -146.32 161.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -94.88 59.22 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 22.0 pttt -179.96 142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.846 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.1 OUTLIER -92.08 -47.58 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -27.8 90.14 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.766 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 -47.56 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.6 pt? -38.56 -39.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -92.9 -27.09 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HG2' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -68.08 -69.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -51.34 -38.13 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -41.21 -42.52 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -42.25 6.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.87 -66.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.835 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -55.79 -16.87 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 0.15 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -97.05 -25.52 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -51.19 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 34.4 tp60 -94.24 -40.19 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.3 -23.14 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -31.87 68.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.1 tp10 -99.75 -11.0 21.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.17 29.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -95.06 -9.74 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.711 ' C ' HD23 ' A' ' 63' ' ' LEU . 9.1 p -116.85 124.72 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -136.48 39.67 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -119.49 100.79 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 48.3 p90 -99.76 114.3 27.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.932 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -160.41 172.11 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.932 ' N ' HD12 ' A' ' 66' ' ' LEU . 2.6 t80 -116.61 -48.83 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.9 m-20 -107.11 -74.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' C ' HG23 ' A' ' 70' ' ' ILE . . . -174.71 37.12 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.71 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -153.47 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 7.8 ptt180 43.6 56.68 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.3 pt -114.95 164.32 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' OE1' HD13 ' A' ' 89' ' ' ILE . 15.3 mt-30 -127.06 178.37 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -84.97 -76.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -118.44 46.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.812 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -65.68 -9.65 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.641 HG22 ' HD2' ' A' ' 78' ' ' PRO . 2.1 m -77.33 144.31 70.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.641 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.04 -15.36 20.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.61 -44.9 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 84' ' ' GLU . 26.9 t0 -53.95 -38.11 64.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.665 HD13 HG23 ' A' ' 42' ' ' THR . 3.5 pp -60.03 -40.9 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 81' ' ' LEU . 27.4 t0 -70.43 -17.19 63.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.534 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 11.5 mmt -100.79 -79.63 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -59.77 161.98 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.81 82.72 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -176.96 93.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.601 ' C ' HG22 ' A' ' 88' ' ' ILE . 2.8 m-20 -82.54 116.03 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.949 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -161.91 128.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.766 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.8 mt -148.64 171.34 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 89' ' ' ILE . 2.4 tt0 -120.88 133.31 55.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.912 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -120.72 94.54 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -79.76 177.38 8.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -98.46 147.53 24.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' NE ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -160.51 79.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 102.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.907 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -96.47 128.31 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 3.9 m-70 -85.51 124.7 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.557 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.999 HD11 ' OD2' ' A' ' 87' ' ' ASP . 25.5 pt -156.65 -179.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.5 p-10 -97.64 155.63 16.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -127.01 144.77 50.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 110.28 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.1 m -95.54 121.53 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -101.05 106.55 17.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' GLY . 16.5 t0 -132.08 147.83 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.21 -76.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 t -121.1 -2.65 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -85.44 -10.95 55.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -40.44 112.6 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.12 158.43 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -130.15 141.4 50.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -157.65 160.71 38.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -102.77 140.82 36.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 4.4 mp -140.33 167.59 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.69 59.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.9 mtmt 179.17 136.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.907 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.8 OUTLIER -84.82 -40.69 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.428 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -30.48 93.23 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.866 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.4 Cg_endo -74.99 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.5 pt? -55.46 -50.62 69.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 28.8 mtt180 -79.1 -33.05 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.6 mmp_? -62.17 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -42.01 -37.22 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttp -41.9 -41.67 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.9 tt0 -100.45 -46.74 5.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -44.87 -68.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -54.44 -25.06 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.08 -3.14 58.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.3 tptt -97.48 -28.55 13.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -49.07 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 13.8 tp60 -93.0 -41.88 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.54 -23.9 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -48.25 66.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -84.77 -12.81 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.85 29.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.79 -9.07 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' CB ' ' A' ' 93' ' ' ARG . 4.8 m -126.73 131.17 51.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 19.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HB2' ' CG ' ' A' ' 94' ' ' GLU . 3.5 ttp180 -97.72 80.51 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 24.8 p90 -84.53 121.8 28.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 66' ' ' LEU . 1.1 pp -157.47 159.6 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' N ' HD12 ' A' ' 66' ' ' LEU . 21.1 t80 -98.13 -42.42 7.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.31 -67.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.55 40.27 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -156.7 45.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 37.83 50.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.33 178.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HG2' HD13 ' A' ' 89' ' ' ILE . 6.3 mp0 -138.4 -179.48 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -81.88 -89.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -103.01 45.37 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.07 -18.16 63.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -75.67 144.17 76.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.96 -8.82 20.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.76 -9.11 22.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' GLU . 5.3 t70 -100.81 -41.2 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.709 ' HB2' HG23 ' A' ' 42' ' ' THR . 4.1 pp -67.89 -43.59 78.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -17.57 64.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -76.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.7 tt0 -68.22 169.04 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -140.59 83.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.85 95.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.999 ' OD2' HD11 ' A' ' 24' ' ' ILE . 8.3 m-20 -88.48 122.18 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.73 129.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.866 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.6 mt -151.02 170.02 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.487 ' H ' HG22 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -110.92 130.83 55.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -109.62 111.07 22.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' C ' ' HB3' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -100.9 -179.64 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.497 ' CB ' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -103.05 153.01 20.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.482 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -156.82 78.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 96' ' ' ILE . 1.2 tp60 -160.15 134.88 7.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 5.0 mp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.872 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.5 OUTLIER -82.55 128.69 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' LYS . 4.4 m-70 -85.72 122.49 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.014 HD11 ' OD1' ' A' ' 87' ' ' ASP . 37.5 pt -156.51 178.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 2.3 p-10 -91.62 159.83 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -133.27 140.97 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -136.23 117.87 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -104.82 121.32 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 4.9 m -112.55 141.14 46.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -161.01 163.24 31.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -23.48 -69.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.87 -3.24 9.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -93.66 101.78 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 3.6 pt-20 -133.5 110.05 9.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.343 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -130.91 144.21 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -137.46 117.11 13.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.68 161.1 42.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.3 143.86 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' LYS . 3.1 mp -139.26 166.75 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 23' ' ' HIS . 4.3 mmtp -102.96 58.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 22' ' ' THR . 7.7 mtpt 178.35 133.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.872 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -82.65 -44.24 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -30.42 91.57 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.362 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.925 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.5 pt? -33.44 -54.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -37.7 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -57.04 -75.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD23 ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -47.15 -37.21 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -41.44 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.1 -46.59 4.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.6 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CB ' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.46 -19.9 6.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.41 -6.43 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -90.18 -27.74 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG3' ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.71 -60.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' HB2' ' CB ' ' A' ' 33' ' ' SER . 1.4 tm0? -80.81 -44.66 18.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.61 -26.48 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -53.4 -47.08 69.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.0 mt-10 -84.23 -14.05 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 mtt 38.72 29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -97.07 -13.92 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.625 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.8 p -109.16 117.46 34.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -130.15 38.91 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 92' ' ' HIS . 25.9 ttt180 -120.11 100.57 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 47.7 p90 -98.08 111.75 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -160.07 163.55 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.726 ' N ' HD12 ' A' ' 66' ' ' LEU . 1.8 t80 -109.22 -44.68 3.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.922 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -107.37 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.62 37.05 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -150.54 33.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 1.5 mtm-85 52.99 57.65 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.922 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.2 pt -118.69 168.17 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.554 ' HG2' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -134.33 179.21 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.353 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.3 -90.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.28 43.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.716 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.6 tm0? -66.37 -7.78 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.2 m -96.52 148.18 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.01 -14.83 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -98.68 -9.27 24.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.38 -32.89 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.669 ' HB2' HG23 ' A' ' 42' ' ' THR . 2.7 pp -74.67 -36.27 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -21.58 63.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -79.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.32 165.63 2.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p-10 -143.02 82.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -176.74 100.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.014 ' OD1' HD11 ' A' ' 24' ' ' ILE . 26.8 m-20 -89.17 114.91 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.938 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.39 131.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.925 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.5 mt -151.33 171.3 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.51 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.5 tt0 -121.39 134.59 55.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' OD2' ' A' ' 30' ' ' ASP . . . -115.19 95.85 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ARG . 2.3 m80 -79.73 174.44 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -98.24 143.1 29.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -160.82 79.45 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -159.06 139.92 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 41' ' ' LYS . 6.3 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.753 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -121.71 133.35 54.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.541 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -80.43 121.13 25.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.576 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.059 HD11 ' OD2' ' A' ' 87' ' ' ASP . 23.2 pt -154.13 177.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 7.7 p30 -90.21 163.34 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.895 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -137.47 144.07 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -137.34 128.58 27.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -117.43 129.26 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 8.1 p -123.96 133.96 53.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.579 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.89 169.2 22.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -18.13 -77.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -120.31 -2.95 10.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 20.4 t -100.04 99.93 10.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -143.76 113.74 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' A' ' 55' ' ' ARG . 2.9 tt -137.22 172.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.22 128.38 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.96 160.36 41.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.801 ' C ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -96.04 144.62 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 38' ' ' LYS . 4.5 mp -143.09 168.12 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.531 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -104.15 59.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.753 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.55 -42.7 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.37 93.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.899 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.0 -33.77 4.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 76' ' ' GLN . 2.5 pt? -56.38 -52.97 62.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -77.73 -35.09 52.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.895 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.3 mmp_? -60.36 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -42.9 -36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.5 tmm? -40.82 -42.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.7 -39.75 7.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -54.81 -67.23 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.867 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.28 -22.24 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.86 -5.52 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -96.14 -25.07 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -101.15 -53.29 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' NE2' ' OG ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -91.28 -39.45 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.27 -21.33 2.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -42.36 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.09 -15.89 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 mtm 45.45 28.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -100.69 -10.46 20.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.7 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -122.25 124.93 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.7 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -139.81 34.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . 22.1 ttt180 -107.99 101.07 10.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 24.1 p90 -95.69 118.04 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 67' ' ' TYR . 1.1 pp -157.96 176.53 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.816 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.2 t80 -116.36 -41.88 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -123.16 -69.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -175.86 47.02 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.723 HD11 HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -160.17 32.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 35.2 mtp180 52.14 45.85 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -104.25 170.24 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.841 ' HG2' HD13 ' A' ' 89' ' ' ILE . 2.1 mt-30 -137.92 177.31 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -82.74 -89.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' O ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -101.53 41.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.591 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.6 tm0? -63.07 -8.46 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.584 HG22 ' HD2' ' A' ' 78' ' ' PRO . 8.2 m -92.25 145.09 30.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 -8.08 19.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.501 ' O ' ' CE ' ' A' ' 83' ' ' MET . 1.2 tt0 -100.52 -16.06 17.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.8 t0 -95.19 -34.11 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.582 ' CD2' ' HA ' ' A' ' 78' ' ' PRO . 4.4 pp -72.96 -43.51 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.72 -29.89 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -96.56 -75.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.3 OUTLIER -58.43 159.1 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 24' ' ' ILE . 2.5 p-10 -138.76 82.99 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.507 ' N ' HD12 ' A' ' 24' ' ' ILE . 11.9 t-20 -178.26 95.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.059 ' OD2' HD11 ' A' ' 24' ' ' ILE . 3.2 m-20 -85.64 119.7 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.234 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.918 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -160.65 129.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.899 HD11 ' HB2' ' A' ' 44' ' ' PRO . 5.5 mt -148.44 170.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.0 tt0 -115.53 135.18 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.867 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -111.08 137.32 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.539 ' CB ' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -125.92 -178.32 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.659 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 3.4 mmt85 -102.17 139.64 37.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -160.53 79.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -157.47 120.12 3.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 42' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.824 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.7 OUTLIER -161.51 144.7 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.9 m-70 -87.51 125.97 34.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 23' ' ' HIS . 1.1 pt -157.74 179.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 4.1 p-10 -93.55 158.31 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD12 ' OD2' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -127.8 143.93 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' ILE . 2.5 tptp -142.25 111.25 6.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -102.56 121.54 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 2.6 p -110.65 141.41 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.947 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.901 ' OD1' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -153.07 156.88 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.88 -72.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -3.42 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -100.07 105.99 17.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.51 134.8 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.524 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.95 147.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -146.51 123.43 11.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -160.14 161.26 33.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 67.7 mttt -93.13 144.75 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' O ' ' O ' ' A' ' 24' ' ' ILE . 2.5 mp -140.56 165.83 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 3.3 mmtm -102.64 59.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.62 141.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.824 ' CG2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -90.54 -43.8 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.392 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -33.85 95.38 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.984 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -74.98 -52.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 76' ' ' GLN . 1.9 pt? -37.97 -54.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.8 mmt180 -73.19 -35.71 66.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -64.03 -78.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -40.22 -37.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.0 -43.76 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -39.55 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -57.77 -67.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.739 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -54.53 -26.21 30.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.46 -6.65 58.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -94.92 -25.1 16.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -53.73 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.9 -25.28 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 56' ' ' GLN . 25.1 mttt -52.75 -47.75 67.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -84.07 -13.29 53.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.8 ttm 38.4 29.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -99.35 -9.78 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' ARG . 17.9 m -128.79 130.88 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' O ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -144.94 17.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -79.48 100.69 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 71' ' ' ARG . 12.6 m-85 -85.73 104.71 15.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.994 HD11 ' HA2' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -142.59 157.5 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -118.75 -32.59 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -135.51 -72.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.994 ' HA2' HD11 ' A' ' 66' ' ' LEU . . . -167.92 44.71 0.24 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.811 HD11 HD13 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -165.96 43.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' PHE . 4.2 ptm85 38.73 52.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 70' ' ' ILE . 1.1 pt -108.53 169.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.22 175.83 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 88' ' ' ILE . . . -80.5 -97.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.407 ' C ' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -96.17 42.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.712 ' O ' HD13 ' A' ' 45' ' ' LEU . 4.7 tm0? -64.37 -9.04 15.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.751 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -95.51 146.39 31.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.751 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.07 -18.25 18.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -6.25 57.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -100.03 -54.44 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HB2' HG23 ' A' ' 42' ' ' THR . 3.5 pp -52.3 -33.31 41.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -24.77 60.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.582 ' HE2' ' HA ' ' A' ' 83' ' ' MET . 6.0 mmt -101.03 -75.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ASP . 0.7 OUTLIER -62.05 170.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.19 82.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -176.88 101.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.869 ' OD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.53 113.35 24.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -159.98 131.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.984 HD11 ' HB2' ' A' ' 44' ' ' PRO . 2.7 mt -150.9 169.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -118.11 124.84 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.901 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . . . -109.83 91.75 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -78.83 -179.11 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.629 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.521 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -84.75 144.04 28.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 64' ' ' ARG . 18.5 tt0 -158.45 79.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.77 119.89 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.843 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -86.88 128.07 35.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 4.6 m-70 -86.21 122.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' OD1' ' A' ' 87' ' ' ASP . 25.5 pt -156.92 -178.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 6.7 p-10 -98.94 164.61 12.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -135.05 133.26 39.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 105.6 10.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.598 ' HA ' HD11 ' A' ' 48' ' ' LEU . 1.1 m -91.06 117.42 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.2 t -89.81 134.48 34.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.599 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.6 t0 -162.66 142.64 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.15 -74.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 t -122.43 -2.57 8.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.487 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -83.98 -15.49 47.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.003 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -36.83 108.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -134.28 156.6 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -132.77 140.67 48.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -157.32 160.75 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -103.45 149.9 24.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -152.73 168.75 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -101.26 61.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 22' ' ' THR . 1.4 ttmt 179.16 138.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.843 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -91.23 -47.06 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -31.71 92.61 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.817 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.9 pt? -40.22 -34.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 1.0 OUTLIER -99.88 -25.29 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -71.28 -67.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD22 ' HB ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -54.79 -30.34 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 20.2 ttp -47.38 -40.85 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.6 tm-20 -101.2 -43.27 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -46.42 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.838 ' CE1' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -53.16 -27.55 21.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.06 -11.6 56.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' GLU . 1.8 tptt -91.68 -28.39 17.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.1 -56.45 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 40.3 tp60 -83.25 -43.23 16.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -51.46 -19.5 4.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -55.06 -46.19 75.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.2 mm-40 -90.6 -8.13 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm 39.65 29.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' GLU . 2.9 m-20 -97.11 -10.04 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.509 ' OG ' ' CG ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -116.75 121.34 41.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -130.58 33.22 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -110.92 101.32 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.25 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.653 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -104.52 115.32 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 67' ' ' TYR . 2.3 pp -161.27 -179.32 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.9 t80 -117.12 -39.59 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.706 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -124.91 -68.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.555 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.75 36.39 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 ' CZ ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -156.01 48.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.584 ' CZ ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER 38.07 49.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -105.32 167.32 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.495 HE21 ' N ' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -132.33 -178.83 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -95.21 -99.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.451 ' N ' ' OD2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -86.63 45.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.8 tm0? -71.84 -2.85 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.604 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -88.79 143.46 31.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.413 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 -16.7 20.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' CE ' ' A' ' 83' ' ' MET . 67.7 mt-10 -95.78 -27.05 15.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLU . 13.4 t70 -76.68 -48.82 17.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.695 HD13 HG23 ' A' ' 42' ' ' THR . 4.0 pp -53.86 -43.35 69.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.511 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -67.82 -22.83 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.494 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.73 -82.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ASP . 1.1 tt0 -60.29 161.88 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.61 82.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 1.8 t30 -176.91 89.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.945 ' OD1' HD11 ' A' ' 24' ' ' ILE . 44.9 m-20 -81.72 116.45 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.829 ' C ' HD12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -154.24 136.24 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 44' ' ' PRO . 4.2 mt -152.46 178.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.722 ' H ' HG22 ' A' ' 89' ' ' ILE . 17.2 tt0 -120.68 139.88 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.838 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -130.06 94.7 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -84.92 -179.13 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.567 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' N ' ' CD ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -119.36 149.59 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.9 tt0 -156.63 79.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -150.13 128.9 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.826 HG22 ' HB ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -155.13 153.54 30.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.413 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -91.01 117.46 29.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 42' ' ' THR . 3.4 pt -155.94 -178.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 13.1 p30 -105.74 151.93 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -120.13 140.63 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HD2' ' CB ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -132.72 110.43 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 35' ' ' ILE . 2.4 m -99.31 117.27 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 1.1 m -110.23 128.29 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.0 t70 -144.51 155.99 43.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -25.74 -65.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.64 -4.97 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -100.65 99.2 9.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -132.97 114.47 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -135.22 148.96 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -136.5 127.34 27.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 35' ' ' ILE . 12.1 m-85 -153.81 161.04 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 7.9 mttt -102.17 137.2 40.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.7 mp -136.85 169.79 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -101.27 59.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HD2' ' CG2' ' A' ' 43' ' ' THR . 1.3 mtmt -175.25 128.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.826 ' HB ' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.74 -41.49 16.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.5 t -33.21 97.07 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 1.021 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.97 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.5 pt? -37.94 -57.95 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 21.3 mmt85 -72.29 -38.68 68.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.723 ' HB2' ' HA ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.75 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -41.27 -40.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -38.51 -42.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LYS . 1.5 tt0 -100.72 -51.56 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.45 -65.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.45 -19.57 9.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' HA ' ' HA3' ' A' ' 57' ' ' GLY . . . -97.08 -2.71 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' GLU . 32.0 mmtt -99.45 -24.13 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HG3' ' CB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -100.55 -46.84 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -100.34 -36.87 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 53' ' ' ALA . . . -55.88 -17.69 16.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -56.88 -33.59 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -94.03 -13.99 26.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.99 29.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -100.04 -10.26 21.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.781 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -125.47 128.18 47.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -144.74 39.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 92' ' ' HIS . 36.5 ttt85 -123.08 82.67 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 35.7 p90 -86.67 118.76 26.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -157.39 155.67 30.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.487 ' N ' HD12 ' A' ' 66' ' ' LEU . 14.3 t80 -100.7 -41.81 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 3.3 m-20 -110.18 -75.53 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -173.41 32.77 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.695 HG12 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -152.28 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER 39.03 58.59 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 68' ' ' ASP . 1.1 pt -117.75 165.43 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.798 ' HG2' HD13 ' A' ' 89' ' ' ILE . 7.4 mp0 -136.57 -177.58 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.37 -91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -83.64 47.98 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.504 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.1 tt0 -62.81 -9.26 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.737 HG22 ' HD2' ' A' ' 78' ' ' PRO . 3.0 m -103.88 147.13 33.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.092 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.737 ' HD2' HG22 ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 -15.9 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' CE ' ' A' ' 83' ' ' MET . 3.1 mt-10 -90.83 -21.34 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -86.85 -42.21 13.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.721 HD13 HG23 ' A' ' 42' ' ' THR . 4.1 pp -64.45 -38.57 91.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' N ' HD12 ' A' ' 81' ' ' LEU . 12.9 t0 -67.39 -19.77 65.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 2.7 mtm -100.51 -78.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 174.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.6 84.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 22.5 p-10 -174.59 95.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' OD2' ' CB ' ' A' ' 47' ' ' ARG . 9.7 t0 -93.32 84.33 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.921 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -124.82 128.93 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.021 HD11 ' HB2' ' A' ' 44' ' ' PRO . 7.5 mt -143.43 170.88 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.536 ' H ' HG22 ' A' ' 89' ' ' ILE . 4.1 tt0 -120.69 130.31 54.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' OD1' ' A' ' 30' ' ' ASP . . . -102.54 145.33 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -132.39 -179.36 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.55 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 62' ' ' SER . 1.3 mmm-85 -100.31 143.27 30.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 64' ' ' ARG . 3.3 mm-40 -160.09 79.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -159.6 98.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.8 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' CG2' ' A' ' 42' ' ' THR . 0.6 OUTLIER -160.49 140.44 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.563 ' HD1' ' N ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -83.84 122.49 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.86 HD12 ' N ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -150.45 -178.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 2.7 p-10 -103.78 141.42 36.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.694 HD13 ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -119.61 158.58 26.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -148.72 128.41 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -109.63 131.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -122.57 117.5 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.608 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -132.83 166.62 21.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' A' ' 30' ' ' ASP . . . -19.27 -73.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -2.9 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -99.12 100.17 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.34 116.93 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 tp -144.1 156.54 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -132.99 130.08 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -144.1 160.88 40.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -97.26 134.05 41.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' ILE . 4.7 mp -132.87 165.6 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -98.67 59.74 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' CD ' ' CG2' ' A' ' 43' ' ' THR . 0.2 OUTLIER 179.34 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.692 HG23 HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -86.16 -41.68 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.539 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -36.23 98.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.378 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.991 ' HB2' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD13 ' HG2' ' A' ' 76' ' ' GLN . 2.2 pt? -44.81 -54.51 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 3.9 mtt180 -73.98 -38.62 64.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.694 ' HB3' HD13 ' A' ' 26' ' ' LEU . 4.1 mmp_? -62.69 -77.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -41.75 -38.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -39.98 -44.32 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -101.22 -40.66 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . . . -51.24 -65.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -51.05 -39.93 57.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' ' HA3' ' A' ' 57' ' ' GLY . . . -76.14 -3.77 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 tptt -88.1 -29.47 20.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -61.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -78.69 -40.24 34.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 53' ' ' ALA . . . -52.34 -18.63 5.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -26.83 65.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -100.25 -12.21 19.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.6 29.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -100.52 -13.18 18.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 93' ' ' ARG . 56.3 m -124.93 128.95 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 14.37 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 92' ' ' HIS . 28.9 ttt180 -91.08 84.83 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 45.7 p90 -81.6 121.84 26.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -157.34 165.94 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 13.5 t80 -108.95 -43.89 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.843 ' HB2' HD11 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -115.77 -69.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -174.45 35.53 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.741 HD12 ' CG2' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -153.58 49.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.562 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER 36.69 44.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.843 HD11 ' HB2' ' A' ' 68' ' ' ASP . 2.4 pt -102.12 170.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 89' ' ' ILE . 1.7 mt-30 -128.67 173.42 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' ILE . . . -82.71 -80.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -110.33 42.71 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.677 ' HG2' HD13 ' A' ' 45' ' ' LEU . 2.5 tm0? -63.66 -15.04 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.6 m -71.58 138.27 83.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.372 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 18.3 Cg_endo -75.0 -9.02 20.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -24.59 14.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -79.72 -47.63 14.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.692 HD13 HG23 ' A' ' 42' ' ' THR . 3.9 pp -53.55 -40.3 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.5 -21.58 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 mtm -98.29 -83.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.69 164.49 3.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.593 ' C ' HD12 ' A' ' 24' ' ' ILE . 7.5 p-10 -134.21 80.94 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.86 ' N ' HD12 ' A' ' 24' ' ' ILE . 8.8 t-20 -178.25 100.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' OD1' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -95.67 92.99 6.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.884 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -129.02 134.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.991 HD11 ' HB2' ' A' ' 44' ' ' PRO . 3.1 mt -150.49 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.599 ' H ' HG22 ' A' ' 89' ' ' ILE . 3.7 tp10 -114.49 136.56 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 30' ' ' ASP . . . -111.01 108.48 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -98.48 171.76 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.482 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -98.6 148.56 23.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 2.0 tt0 -161.08 78.91 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -156.22 79.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.782 HD12 ' C ' ' A' ' 96' ' ' ILE . 1.4 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 stop_ save_