data_1wex_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 1wex _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.582 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 24.5 t -52.59 159.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 14' ' ' VAL . 33.9 t -158.12 144.49 12.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.9 t -119.53 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -83.15 123.08 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.08 107.82 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 32' ' ' LEU . 5.7 t -86.89 126.05 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -133.44 156.67 47.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.48 49.23 26.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.39 172.57 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -77.5 165.59 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -31.57 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.9 m -118.82 77.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.4 t -116.46 142.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -119.18 178.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' VAL . 40.2 tt0 -67.12 -46.68 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -49.99 -61.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -40.56 -40.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG11 ' A' ' 20' ' ' VAL . 2.5 mt -79.47 -41.75 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 37' ' ' GLU . 60.5 t -56.67 -47.88 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.46 -7.14 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.47 -23.65 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.2 mt -103.07 -45.22 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.6 pp20? -45.14 -29.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -54.33 -24.75 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 58.1 m-85 -83.93 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.75 -130.72 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -100.39 147.41 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 10.9 mt -112.58 118.88 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -68.34 -61.86 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 41.5 t80 -148.75 168.13 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.557 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 70.7 t -143.44 135.47 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -118.76 141.43 48.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.96 132.75 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' ' HG ' ' A' ' 55' ' ' LEU . 2.9 mpp? -124.25 106.8 30.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -133.52 59.33 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.2 OUTLIER 42.16 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -128.24 171.23 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.55 146.45 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.4 mt -107.35 145.42 32.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 36' ' ' LEU . 63.1 t -131.3 99.86 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.62 95.04 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 24.8 m-85 -68.27 160.29 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.48 -50.76 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.2 163.52 26.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CD1' HG13 ' A' ' 14' ' ' VAL . 15.5 tt -64.76 -27.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -55.65 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -53.4 -55.02 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -40.39 -51.17 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -55.71 -56.05 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -41.27 -44.78 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 48.6 t -62.06 -55.74 25.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ALA . 36.8 t -54.62 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 8.8 t -39.92 -53.89 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 16.6 t80 -61.76 -34.63 76.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -82.48 5.88 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.71 -33.07 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -33.09 16.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.7 p -132.84 139.19 33.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.74 35.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.81 146.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 28.5 m-85 -123.14 138.36 54.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.8 mm -102.26 120.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 54.94 36.07 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.31 29.06 62.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.14 120.67 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.8 tp60 -44.92 142.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.11 174.71 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -132.31 138.7 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.487 ' CE1' HD21 ' A' ' 36' ' ' LEU . 96.8 m-85 -122.93 115.42 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.74 140.45 33.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -45.28 127.98 7.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -71.31 160.42 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.2 p -64.81 -55.1 21.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.31 170.93 14.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -95.94 -41.51 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -122.15 152.25 40.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 43.3 t -72.59 155.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 33.1 t -152.71 141.37 14.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.6 t -118.97 106.25 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.91 122.04 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -81.76 108.03 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t -86.46 126.71 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.489 HH21 ' NE2' ' A' ' 53' ' ' GLN . 6.3 mtp180 -129.44 152.51 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.65 63.39 2.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' C ' ' NE2' ' A' ' 81' ' ' GLN . 98.6 mt -110.94 159.9 17.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.2 168.4 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.0 -0.24 23.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 62.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' CG1' HD12 ' A' ' 32' ' ' LEU . 1.9 t -104.3 137.13 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 m -110.96 -178.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 40.1 tt0 -68.61 -55.47 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.53 -63.41 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.6 -31.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.6 mt -88.84 -42.87 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' GLU . 60.4 t -54.05 -52.76 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.42 -7.17 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.548 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -104.18 -13.31 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' CG1' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -115.11 -38.94 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -48.8 -28.57 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.25 -21.92 26.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 47.9 m-85 -87.25 -61.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.21 -134.6 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.8 m -97.46 147.24 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.5 mt -112.24 116.14 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.0 -62.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.351 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 44.6 t80 -150.82 165.66 32.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.517 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 92.7 t -140.28 124.3 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 ttp -104.62 139.01 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.36 109.19 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.39 111.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 55.71 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.555 1.818 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 38.6 m-85 -152.24 128.79 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 50.88 22.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? 48.67 82.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' NE2' HH21 ' A' ' 21' ' ' ARG . 19.8 mt-30 -134.43 175.12 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.97 139.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.0 mt -101.26 142.45 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' HD12 ' A' ' 36' ' ' LEU . 62.4 t -128.11 98.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -85.7 94.86 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 28.8 m-85 -66.94 165.04 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.21 -52.7 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.35 167.2 12.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' CG1' HG12 ' A' ' 14' ' ' VAL . 15.2 tt -77.09 -17.06 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.78 -38.06 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -66.56 -53.85 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.523 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -41.68 -49.87 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 14' ' ' VAL . 16.5 mtpt -55.53 -56.7 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -41.58 -45.3 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 47.9 t -61.87 -52.69 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 47.4 t -57.5 -71.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.439 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 10.2 t -39.0 -53.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.561 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 52.4 t80 -62.6 -37.74 87.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -82.25 4.4 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -108.16 -29.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.84 -33.06 7.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 70' ' ' PHE . 56.0 t -114.17 138.91 23.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.406 ' N ' HG12 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.0 139.59 24.46 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.6 138.85 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -122.44 137.87 54.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.548 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 12.9 mm -113.3 109.27 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.53 37.85 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.03 24.97 74.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 23' ' ' LEU . 3.9 tt0 -137.93 121.23 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.45 159.11 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.6 168.27 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -115.34 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 71' ' ' ALA . 89.6 m-85 -120.16 120.99 37.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -143.09 166.52 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.4 m-85 -70.33 141.79 52.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -103.89 130.17 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.6 p -76.68 57.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -133.49 -45.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 90' ' ' SER . 5.6 tptt 84.58 -54.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 144.37 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.582 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 24.5 t -47.1 159.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 45.5 t -158.84 143.05 11.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.3 t -119.11 108.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -82.46 122.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 15.3 t-160 -80.3 104.53 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.59 117.86 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 135.01 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.1 36.44 4.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 23' ' ' LEU . 2.3 mp -82.19 -132.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.48 -171.09 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -37.99 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 46.8 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.12 135.59 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.94 172.71 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 22.8 tt0 -54.77 -58.72 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.57 -65.08 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.9 m-20 -39.11 -33.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLU . 3.1 mt -86.34 -45.59 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 37' ' ' GLU . 65.6 t -54.93 -48.69 74.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -7.72 23.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.23 -25.51 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 85' ' ' PHE . 1.3 mt -100.09 -46.03 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 33' ' ' VAL . 16.3 pt-20 -41.33 -37.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -43.83 -28.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 46.4 m-85 -80.85 -67.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -135.88 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 152.65 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 37' ' ' GLU . 6.2 mt -119.95 113.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t -62.63 -63.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.07 169.4 18.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.479 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 77.2 t -144.63 121.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -105.82 140.95 38.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.71 122.47 46.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.1 mtm -119.95 106.23 41.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.803 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.3 t80 75.36 -62.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.8 mttt -109.64 24.49 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 37.94 78.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 11.4 mt-30 -132.21 -179.8 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.13 138.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.9 mt -100.9 146.78 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 36' ' ' LEU . 66.6 t -132.47 100.8 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -87.58 94.77 9.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 31.8 m-85 -68.64 163.17 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -48.21 -53.14 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.67 166.08 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.48 ' CD1' HG13 ' A' ' 14' ' ' VAL . 19.3 tt -69.31 -24.01 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.61 -49.67 75.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -52.77 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.07 -49.62 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -53.15 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.1 tp10 -43.2 -43.42 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.513 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 51.6 t -62.98 -58.38 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' ALA . 85.6 t -52.95 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 13.3 t -39.04 -53.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 39.4 t80 -62.18 -35.61 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -78.71 2.8 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.17 -31.05 7.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -31.17 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.7 p -134.88 139.96 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.55 36.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.08 149.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -127.95 142.55 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 36.4 mm -108.02 119.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.64 14.29 9.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.11 -16.64 49.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 17.1 mm100 -88.2 159.31 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.8 tp60 -80.7 138.6 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.53 167.97 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -120.68 169.6 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CE1' HD23 ' A' ' 36' ' ' LEU . 87.7 m-85 -149.1 117.49 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 140.1 24.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 24.0 m-85 -41.24 145.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.5 t -96.93 135.74 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.3 p -43.68 -41.42 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.22 170.49 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -106.11 -48.88 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 3.2 ttt180 -120.66 142.36 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.492 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 36.0 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.592 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 38.8 t -44.26 158.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 t -161.58 140.76 7.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.81 17.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.9 t -113.24 106.21 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.82 122.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -80.55 108.68 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.552 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.6 t -86.58 132.67 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -131.15 172.61 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.29 61.24 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.89 -177.28 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' CB ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.81 -173.54 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -42.46 15.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -113.63 73.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 24' ' ' CYS . 3.9 t -106.06 133.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.1 m -116.98 176.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.473 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 14.4 tt0 -57.45 -59.53 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.1 -62.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 15.3 m-20 -39.63 -37.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -83.13 -51.12 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 37' ' ' GLU . 69.7 t -49.22 -57.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -14.55 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.75 -0.68 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 85' ' ' PHE . 2.9 mt -139.8 18.82 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -98.14 -17.82 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -23.94 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 46.8 m-85 -77.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.93 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 m -87.54 136.62 32.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.13 112.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -58.96 -71.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -137.75 170.35 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 73.5 t -144.06 113.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.72 137.63 37.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.75 110.6 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.448 ' CE ' HD22 ' A' ' 55' ' ' LEU . 69.3 mtm -100.7 108.05 51.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -146.26 130.0 17.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp 43.95 30.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 47.02 84.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.88 173.38 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 156.21 6.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD22 ' CE ' ' A' ' 48' ' ' MET . 7.9 mt -116.06 137.78 51.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 36' ' ' LEU . 38.1 t -124.54 96.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -81.23 95.16 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 22.8 m-85 -66.15 156.16 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -52.43 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.22 171.9 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 14' ' ' VAL . 16.5 tt -81.27 -36.23 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -51.3 -29.24 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -73.8 -59.7 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.9 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -42.08 -59.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.6 tp10 -61.35 -45.13 95.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -52.55 -39.79 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' ALA . 74.2 t -76.12 -71.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -38.08 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.521 ' CD1' HG11 ' A' ' 74' ' ' VAL . 17.8 t80 -68.42 -46.74 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -66.1 -9.1 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.3 -39.97 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.36 40.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.521 HG11 ' CD1' ' A' ' 70' ' ' PHE . 2.0 p -143.56 140.08 17.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.87 153.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.466 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.4 m-85 -132.75 137.69 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 16.8 mm -106.0 107.72 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 71.82 26.63 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.55 -3.86 85.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -107.79 122.98 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.466 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 6.9 tm0? -47.9 165.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.39 160.82 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 15.8 m-85 -112.14 146.69 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 36' ' ' LEU . 86.1 m-85 -131.49 118.05 19.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.12 149.89 35.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.0 m-85 -49.43 148.16 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' SER . 5.4 m -112.66 102.56 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.33 -31.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 1.2 m -43.38 -52.41 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' SER . 14.5 tptt 85.39 -49.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.74 148.28 46.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 14.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.587 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 9.3 t -43.5 161.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.44 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 14.7 t -154.68 143.9 15.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 48.6 t -108.39 111.13 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -85.94 128.44 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.81 106.54 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.5 t -86.38 126.25 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -130.33 165.32 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.27 54.91 33.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -97.37 160.21 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -62.09 172.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 108.32 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.49 -46.88 62.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.51 80.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 32' ' ' LEU . 2.6 t -114.62 146.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.5 m -125.01 -174.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 19.3 tt0 -69.59 -60.92 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -38.9 -65.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' ALA . 12.3 m-20 -37.9 -40.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.3 mt -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.6 t -51.03 -48.95 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -16.29 27.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.05 -0.04 25.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -137.57 17.55 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.8 pp20? -100.15 -18.22 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -22.95 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 27.9 m-85 -76.92 -64.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.49 -135.96 1.97 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -95.94 143.77 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.72 113.04 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.0 t -62.76 -71.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -135.94 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.487 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 61.2 t -144.85 111.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.465 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -96.01 138.26 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 132.86 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.416 ' HE3' ' N ' ' A' ' 54' ' ' ALA . 1.8 mpp? -123.96 106.96 31.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -9.97 21.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -45.88 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -132.69 45.13 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? 54.05 43.17 31.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -104.01 170.98 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' HE3' ' A' ' 48' ' ' MET . . . -169.86 146.86 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.9 mt -106.73 147.5 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 36' ' ' LEU . 55.2 t -132.06 100.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.2 tp10 -84.67 95.8 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 25.2 m-85 -68.22 163.11 23.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.5 -45.23 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 166.78 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.475 ' CD1' HG11 ' A' ' 14' ' ' VAL . 19.2 tt -75.37 -12.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -74.14 -25.92 60.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.3 m -80.07 -56.76 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -40.14 -43.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -61.41 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -39.05 -45.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 23.8 t -57.28 -60.01 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 t -48.37 -71.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -42.04 -54.04 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 13.9 t80 -53.85 -40.33 66.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' VAL . . . -79.14 6.52 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.49 -32.01 8.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -34.76 11.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -127.29 135.04 26.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.91 8.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.602 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.39 150.18 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.94 128.98 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 25.8 mm -97.73 107.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 59.42 36.18 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.84 39.34 20.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.404 ' OE1' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -150.76 116.09 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.3 tt0 -43.63 143.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -140.05 156.8 46.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -114.1 129.18 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CE2' HG21 ' A' ' 76' ' ' VAL . 19.0 m-85 -114.72 113.57 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -134.74 164.38 27.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 21.2 m-85 -72.1 125.98 28.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -83.77 115.5 22.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.9 p -53.46 -21.97 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -63.97 -25.66 68.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.7 mmtm 69.52 -62.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 22.9 mmt85 -113.54 153.85 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 20.0 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.588 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.8 t -53.04 164.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 43.4 t -161.09 135.66 5.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.01 18.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 57.2 t -113.77 103.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -81.95 123.15 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.413 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 15.0 t-160 -80.55 106.74 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG12 ' CD2' ' A' ' 32' ' ' LEU . 2.9 t -86.54 118.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -119.19 169.77 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.02 68.61 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -86.75 174.69 8.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -9.14 59.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.53 71.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -108.84 150.68 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.76 178.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 28.4 tt0 -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.98 -63.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ALA . 34.6 m-20 -40.17 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.7 mt -90.78 -43.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' GLU . 52.5 t -53.91 -50.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.51 -7.94 29.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.28 -11.5 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 HD22 ' CE1' ' A' ' 85' ' ' PHE . 1.4 mt -114.89 -37.15 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -49.45 -23.76 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -14.82 52.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 49.9 m-85 -96.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.71 -151.1 6.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -82.39 147.12 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.99 115.04 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -66.15 -58.36 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -151.43 166.53 30.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 72.8 t -142.76 124.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -108.58 141.85 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.45 132.28 54.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.3 mtm -124.14 106.54 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 -17.01 19.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.29 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.18 54.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.17 74.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 5.0 mt-30 -139.07 170.26 16.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.94 145.19 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.9 mt -106.47 145.93 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 36' ' ' LEU . 56.0 t -130.87 100.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -85.94 94.52 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m-85 -67.35 155.03 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.27 -54.93 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -120.8 165.85 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CD1' HG13 ' A' ' 14' ' ' VAL . 21.3 tt -73.83 -35.57 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -48.44 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 3.3 m -52.39 -61.32 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . . . -41.32 -56.4 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 14' ' ' VAL . 20.0 mtmt -39.76 -57.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.91 -43.6 98.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.2 m -55.04 -38.89 68.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' ALA . 99.5 t -76.55 -69.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -40.19 -37.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 11.9 t80 -70.76 -40.83 72.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.64 0.39 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.59 -31.52 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -29.3 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 70' ' ' PHE . 1.6 p -136.89 138.78 26.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.98 40.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.22 149.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.7 m-85 -126.37 136.72 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -105.56 114.7 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.12 35.72 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.97 19.81 79.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.86 121.78 28.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.4 tp60 -48.13 143.74 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.32 176.98 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -131.42 145.51 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CE1' HD22 ' A' ' 36' ' ' LEU . 97.9 m-85 -132.41 115.41 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.25 27.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.9 m-85 -42.96 135.81 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -85.82 157.88 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.7 p -61.49 -49.34 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -74.37 176.41 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.23 -45.29 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -124.08 149.46 46.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.404 ' CG2' ' HB2' ' A' ' 46' ' ' MET . 58.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.594 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 9.4 t -59.94 161.45 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 28.8 t -157.93 144.5 12.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.08 17.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 53.3 t -113.57 104.29 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -82.19 122.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.58 108.11 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 t -86.1 130.53 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -133.73 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.53 68.35 0.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -106.31 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.13 -174.85 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 -34.49 22.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 76.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG21 ' CB ' ' A' ' 24' ' ' CYS . 19.5 t -108.79 144.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -127.89 161.69 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.6 tt0 -43.82 -56.81 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -43.04 -63.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -42.17 -29.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.5 mt -90.98 -40.67 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 37' ' ' GLU . 89.6 t -55.82 -45.17 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -7.76 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.76 -15.33 14.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 1.2 mt -114.15 -48.52 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.65 -30.02 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -55.81 -18.4 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.2 m-85 -91.45 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.5 -134.43 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 42' ' ' ILE . 18.5 m -100.39 146.67 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.6 mt -112.76 120.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.1 t -68.91 -63.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CD1' HG23 ' A' ' 93' ' ' ILE . 56.9 t80 -145.66 166.98 24.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 76.4 t -141.85 128.24 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.56 133.58 55.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.2 135.88 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -123.67 106.29 32.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.04 9.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -53.41 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.58 56.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.23 74.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -142.64 173.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.6 147.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.3 mt -104.58 142.5 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 36' ' ' LEU . 61.9 t -126.95 97.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -82.97 94.95 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.2 m-85 -67.97 158.36 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.22 -36.75 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -135.84 154.61 51.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 14' ' ' VAL . 16.4 tt -64.5 -35.52 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -52.95 -42.35 65.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.49 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 16.9 m -61.98 -53.74 51.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.06 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -58.33 -60.86 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 7.1 tt0 -39.22 -44.6 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 85' ' ' PHE . 36.3 t -59.42 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ALA . 21.0 t -51.09 -71.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 7.6 t -40.74 -52.05 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 17.1 t80 -54.37 -37.75 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -76.08 2.55 12.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.82 -30.05 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -35.53 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.498 HG12 ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -127.81 134.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.636 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -91.75 145.82 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -134.68 125.88 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.599 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 21.1 mm -93.52 97.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 78.76 9.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.08 -22.53 12.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -85.39 132.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 2.0 tp60 -49.65 142.01 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 78' ' ' ILE . . . -134.85 163.07 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 3.4 m-85 -128.77 131.88 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' CE2' HG21 ' A' ' 76' ' ' VAL . 30.0 m-85 -120.08 121.0 37.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.34 163.14 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.2 m-85 -69.23 144.82 53.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 t -118.62 128.69 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.6 p -74.89 56.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -43.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 12.5 mmtm 72.03 -60.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 7.0 ttt180 -105.1 144.61 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 44' ' ' TYR . 24.5 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.597 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 24.1 t -58.79 158.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.439 ' N ' HG11 ' A' ' 14' ' ' VAL . 19.8 t -157.3 142.6 12.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.17 21.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 54.5 t -109.05 105.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.37 124.91 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -81.96 110.53 17.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 32' ' ' LEU . 6.0 t -86.63 127.92 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -124.69 172.33 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.52 71.25 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -107.11 173.65 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -80.42 -174.84 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -41.61 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.22 69.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG21 ' CB ' ' A' ' 24' ' ' CYS . 2.4 t -103.2 136.99 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.58 163.4 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 26.4 tt0 -49.57 -57.52 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.77 -63.01 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ALA . 17.4 m-20 -40.17 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 20' ' ' VAL . 2.5 mt -90.17 -42.87 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' GLU . 40.1 t -54.22 -54.16 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.12 -7.21 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.553 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -103.63 -13.58 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.2 mt -115.93 -40.38 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.1 pp20? -44.2 -33.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' CE ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.18 -27.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 34.5 m-85 -82.62 -65.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.42 -140.09 2.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -91.52 152.39 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.08 113.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -62.48 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 51.7 t80 -146.53 171.04 15.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.3 t -145.23 122.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -104.98 138.92 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.88 121.96 45.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.2 mtm -121.12 106.41 38.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.07 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.1 t80 72.18 -60.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -106.34 20.68 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.0 60.15 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.79 174.25 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.54 140.38 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 9.7 mt -101.49 144.6 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 36' ' ' LEU . 55.1 t -130.04 99.75 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -84.98 94.76 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.32 161.69 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -51.72 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.38 172.55 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CD1' HG11 ' A' ' 14' ' ' VAL . 19.8 tt -82.17 -9.76 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.95 -41.45 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -52.99 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.59 -49.68 2.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -52.62 -52.7 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -47.26 -50.68 20.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.8 t -49.78 -54.24 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' ALA . 3.4 t -58.72 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.14 -62.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 30.8 t80 -52.58 -33.02 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.26 9.2 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.76 -31.63 6.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -36.33 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 2.2 p -127.32 138.72 33.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.41 33.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.5 138.62 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 25.7 m-85 -120.25 146.83 45.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.553 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 11.0 mm -111.09 118.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.17 34.49 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.89 35.55 49.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.39 123.38 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -50.07 143.92 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.4 174.74 10.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -128.75 144.69 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' HD21 ' A' ' 36' ' ' LEU . 91.1 m-85 -129.43 112.2 13.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -140.74 136.39 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.3 m-85 -44.01 130.93 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -73.04 158.38 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -65.06 -40.15 94.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.78 169.01 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 28.5 mmtt -87.48 -71.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 11.0 mtm105 -101.22 155.04 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.585 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 38.0 t -50.38 159.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.2 t -158.05 143.9 12.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 44.2 t -114.72 106.28 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -81.71 121.66 35.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 21.2 t-160 -80.41 104.64 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.66 118.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 138.12 49.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.78 38.88 4.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 32' ' ' LEU . 2.3 mp -82.59 -133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.68 -172.74 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.5 -23.99 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.67 65.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.96 147.41 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 167.68 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' VAL . 30.3 tt0 -54.45 -56.11 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.12 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 69.5 m-20 -38.38 -32.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -86.19 -47.95 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' GLU . 73.7 t -53.85 -47.53 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -66.93 -8.19 27.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.75 -29.13 10.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD22 ' CE1' ' A' ' 85' ' ' PHE . 1.1 mt -93.7 -44.96 7.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 20.4 pt-20 -44.07 -34.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -49.06 -25.48 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 50.4 m-85 -81.9 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.92 -126.59 0.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -104.97 146.33 29.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 37' ' ' GLU . 5.8 mt -111.47 125.41 68.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.1 -63.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 31.8 t80 -146.27 166.34 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.612 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.0 t -142.32 132.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -114.54 141.99 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.95 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.6 mtm -122.03 109.07 33.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.11 19.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -40.07 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -141.17 59.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.66 76.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 10.0 mt-30 -139.11 -179.87 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.17 138.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 11.0 mt -100.9 146.16 27.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 36' ' ' LEU . 71.8 t -133.23 102.41 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -88.57 94.61 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -67.87 158.17 33.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.4 tm-20 -42.38 -55.38 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.49 172.29 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HG12 ' A' ' 14' ' ' VAL . 21.0 tt -78.1 -16.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.89 -55.48 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -56.85 -44.29 81.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.89 -47.99 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -54.68 -56.64 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -43.29 -53.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 38.3 t -46.73 -60.66 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' THR . 4.4 t -55.04 -71.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -38.36 -64.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 47.6 t80 -51.69 -39.24 57.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -81.82 4.64 21.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.02 -28.18 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -28.57 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 79.4 t -118.58 141.49 29.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 141.34 26.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 t -132.71 131.65 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 35.6 m-85 -119.36 140.75 49.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.56 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 17.7 mm -111.45 115.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.83 33.3 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.0 10.03 86.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.12 122.48 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.7 tt0 -51.49 142.16 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.9 171.65 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -126.31 148.88 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' HD22 ' A' ' 36' ' ' LEU . 98.1 m-85 -131.62 125.45 32.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -154.0 142.89 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 24.7 m-85 -45.08 138.74 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -84.45 162.71 19.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.1 p -64.35 -49.06 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.96 171.36 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 11.3 mmtm -95.06 -58.71 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 155.38 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.583 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 32.7 t -60.51 158.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -160.24 140.67 8.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 38.7 t -110.91 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 85' ' ' PHE . 1.8 t -81.74 125.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.539 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 23.7 t-160 -80.52 104.94 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.559 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -86.41 118.38 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -124.86 166.11 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 66.59 2.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.9 -176.73 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 179.37 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -85.22 -5.24 59.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 t -144.33 64.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.54 136.53 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.16 158.33 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 33' ' ' VAL . 13.7 tt0 -47.21 -50.65 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -38.95 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.91 -32.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -82.91 -44.88 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.7 t -53.81 -53.42 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -7.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.84 -6.94 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD21 ' CE1' ' A' ' 85' ' ' PHE . 2.7 mt -121.82 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.64 -27.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -58.84 -28.42 66.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 43.3 m-85 -79.43 -64.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.46 -138.26 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -98.87 143.87 28.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.1 mt -103.79 127.0 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -78.45 -68.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 45' ' ' VAL . 49.0 t80 -142.94 155.55 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.61 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 11.3 m -121.17 158.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 55' ' ' LEU . 1.7 ttm -137.02 134.75 36.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.2 mmt -107.59 117.49 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -122.33 106.35 35.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.44 18.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.18 -64.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -139.01 37.33 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 55.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 19' ' ' HIS . 31.2 mt-30 -116.84 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.51 143.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 24.2 mt -109.64 145.44 36.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 36' ' ' LEU . 18.3 t -133.26 97.67 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.1 tp10 -79.55 94.47 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 28.2 m-85 -64.54 152.14 42.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -42.04 -53.14 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.91 160.49 31.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 14' ' ' VAL . 15.5 tt -66.83 -37.84 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -41.93 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.7 m -60.39 -62.25 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -51.4 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HG2' ' CG1' ' A' ' 14' ' ' VAL . 13.4 mtpt -41.49 -59.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -61.37 -45.76 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.9 m -53.45 -39.14 64.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 71' ' ' ALA . 95.6 t -76.67 -70.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -39.7 -37.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 74' ' ' VAL . 23.8 t80 -70.39 -42.16 72.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -71.61 -4.06 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.25 -35.58 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -27.65 23.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 70' ' ' PHE . 1.6 p -139.75 139.0 20.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.18 40.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.03 152.85 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 67.2 m-85 -132.89 137.82 46.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 12.4 mm -106.17 110.35 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 71.62 14.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.35 -16.94 48.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -89.62 143.36 26.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.6 tt0 -72.41 139.89 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -135.0 -177.21 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.84 134.44 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE1' HD21 ' A' ' 36' ' ' LEU . 98.2 m-85 -119.3 113.51 20.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.3 138.23 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.3 m-85 -40.69 144.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -95.82 144.94 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 p -53.35 -36.61 61.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.2 169.83 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -105.25 -42.87 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -120.46 149.06 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 33.7 mt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.587 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 17.2 t -55.66 159.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' HG11 ' A' ' 14' ' ' VAL . 46.7 t -155.33 141.74 13.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.9 13.14 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 22.1 t -116.92 109.24 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.63 123.99 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 22.7 t-160 -80.32 105.88 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t -86.71 113.01 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.14 164.57 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.82 68.49 1.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 93.9 mt -111.83 -175.59 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.17 153.85 21.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.41 -15.3 35.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.37 65.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.03 138.39 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.41 158.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.9 tt0 -47.27 -51.48 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -39.99 -67.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.04 -29.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.8 mt -88.79 -42.91 11.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 29' ' ' GLU . 91.5 t -56.01 -50.94 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -7.55 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.96 3.01 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.519 ' CD1' HG23 ' A' ' 56' ' ' VAL . 5.2 mt -135.5 -42.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -46.38 -24.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -22.55 64.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 51.1 m-85 -82.15 -67.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.2 -121.92 0.88 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 m -118.45 141.5 48.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.456 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -101.6 127.49 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 t -79.57 -69.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 45' ' ' VAL . 56.5 t80 -138.23 157.69 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.595 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 12.3 m -124.28 158.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.498 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -138.19 136.49 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mmt -106.71 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 55' ' ' LEU . 31.1 mtm -115.63 113.13 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LYS . 18.0 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 57.96 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PRO . 4.9 mmtp -70.92 -8.57 53.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 59.56 44.02 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 75.1 mt-30 -96.81 172.0 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . . . -162.13 138.9 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.4 mt -107.08 143.98 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG23 ' CD1' ' A' ' 36' ' ' LEU . 54.6 t -135.26 95.95 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -77.64 95.17 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.7 m-85 -63.73 152.77 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -43.8 -44.06 6.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 164.82 26.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CD1' HG11 ' A' ' 14' ' ' VAL . 10.0 tt -69.13 -26.62 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -53.31 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -55.53 -52.06 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -44.08 -53.32 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -56.7 -54.11 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.9 tp10 -43.35 -45.3 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 25.2 t -61.36 -54.94 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' ALA . 34.3 t -54.01 -71.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 8.8 t -40.64 -53.84 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 74' ' ' VAL . 15.6 t80 -60.05 -34.5 73.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -80.07 3.11 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.71 -32.82 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.25 -31.71 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.538 HG13 ' CD1' ' A' ' 70' ' ' PHE . 1.5 p -135.0 138.39 29.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.34 35.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -127.85 153.7 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.11 134.5 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 5.7 mm -105.74 122.26 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 56.89 33.47 23.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.97 24.92 72.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.3 mm-40 -127.97 150.84 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.2 tp60 -77.71 139.04 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.47 174.88 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -128.6 144.32 51.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.81 116.23 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.57 139.52 28.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 19.8 m-85 -44.22 143.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.96 144.79 26.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -51.07 -42.75 60.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.97 144.54 25.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -52.0 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -107.04 154.79 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 71.6 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.654 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 97.1 t 58.94 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 28.9 t -159.16 134.84 6.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' HG12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.3 t -126.87 101.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.89 120.21 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 15.7 t-160 -80.43 109.07 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 32' ' ' LEU . 7.8 t -86.02 116.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' NE ' ' CE1' ' A' ' 19' ' ' HIS . 13.2 mtt180 -113.64 173.93 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.64 64.34 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -102.79 169.03 8.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' CB ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -81.62 157.91 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -27.85 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.94 72.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 24' ' ' CYS . 2.4 t -117.34 137.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.34 -179.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 21.7 tt0 -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.66 -66.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . 7.7 m-20 -38.14 -35.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.5 mt -84.37 -47.43 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 37' ' ' GLU . 71.3 t -54.71 -47.42 73.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -9.54 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.89 -39.05 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -84.29 -51.61 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 pp20? -40.16 -34.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -47.92 -25.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 52.2 m-85 -82.93 -70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.88 -121.69 0.95 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 42' ' ' ILE . 15.6 m -112.26 148.05 34.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.9 mt -112.82 123.06 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -60.22 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 24.8 t80 -145.36 164.44 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.631 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 81.0 t -140.41 117.65 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.443 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -100.38 137.15 39.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.85 119.11 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.464 ' CE ' HD22 ' A' ' 55' ' ' LEU . 70.1 mtm -111.15 106.57 57.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.63 17.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 14.1 mttt -130.52 58.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 44.69 61.61 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 6.3 mt-30 -125.43 166.69 16.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.2 141.07 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -103.25 142.15 34.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' HD12 ' A' ' 36' ' ' LEU . 53.7 t -128.18 98.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 2.0 tt0 -85.15 96.27 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.38 156.03 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.43 -48.34 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.01 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.613 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -51.1 -46.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ILE . 68.2 m-20 -38.82 -54.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' SER . . . -51.07 -45.72 61.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CD ' HG13 ' A' ' 14' ' ' VAL . 7.7 mtpt -58.26 -52.58 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.2 tt0 -51.49 -42.34 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 41.8 t -62.22 -63.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' ALA . 70.6 t -50.55 -71.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 7.7 t -36.55 -52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 70.2 t80 -63.06 -41.51 99.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -81.5 5.1 18.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -107.66 -27.39 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.26 -27.4 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 70.4 t -120.52 143.07 35.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.06 146.4 32.38 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 t -137.16 138.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 43.8 m-85 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.505 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -114.46 106.2 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 78.6 14.05 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.28 -14.83 56.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.0 125.95 46.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.496 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -48.06 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.88 -175.12 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.76 148.31 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.49 ' CE1' HD23 ' A' ' 36' ' ' LEU . 89.8 m-85 -137.28 120.21 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -147.34 160.18 42.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CE2' ' HA ' ' A' ' 14' ' ' VAL . 22.8 m-85 -62.66 133.15 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 17.4 t -93.71 139.15 31.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 p -84.73 45.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -123.76 -41.06 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.942 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.6 OUTLIER 82.42 -61.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.06 156.0 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 13.5 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.592 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 41.7 t -46.27 157.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -154.44 146.87 17.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -9.24 20.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 21.2 t -112.24 108.03 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -83.55 122.22 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -80.24 106.22 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.75 123.82 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -128.23 161.29 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 53.17 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.8 mt -97.88 170.14 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.55 162.68 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.63 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -115.66 77.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.443 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.2 t -117.53 148.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 -179.72 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 25.4 tt0 -65.79 -56.67 10.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.84 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -40.7 -30.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.2 mt -89.28 -42.93 11.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 37' ' ' GLU . 54.5 t -55.57 -49.28 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.96 -6.87 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' CB ' HD12 ' A' ' 78' ' ' ILE . . . -106.38 -23.95 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -104.24 -51.65 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -39.59 -31.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.61 -24.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 53.0 m-85 -84.23 -67.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.68 -131.14 1.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -101.76 146.2 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 45' ' ' VAL . 13.5 mt -111.62 111.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.7 t -60.74 -61.54 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 37.9 t80 -146.17 168.47 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 92.9 t -144.45 131.13 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -115.0 139.25 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.99 126.94 52.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.447 ' HE2' ' CD2' ' A' ' 55' ' ' LEU . 66.4 mtm -121.38 106.33 38.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.26 21.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -41.9 -65.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 7.8 mttt -139.07 59.58 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? 42.04 59.85 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 51' ' ' LYS . 8.4 mt-30 -120.69 171.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.87 139.59 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 3.9 mt -108.14 145.82 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 36' ' ' LEU . 3.4 t -135.59 102.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.4 tt0 -84.12 94.48 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.43 159.25 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 60' ' ' ASN . 6.3 pt-20 -50.71 -38.33 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -137.49 176.28 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 14' ' ' VAL . 12.9 tt -83.94 -23.76 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.65 -41.73 99.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -37.03 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.39 -50.75 68.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.21 -54.08 49.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 4.5 tt0 -42.19 -43.43 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 44.1 t -63.39 -54.03 43.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' ALA . 41.7 t -57.94 -70.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 8.9 t -38.24 -50.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 34.8 t80 -66.22 -38.21 87.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.46 3.19 25.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -110.1 -26.93 9.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.76 -34.3 7.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 70' ' ' PHE . 67.8 t -113.54 143.17 28.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 t -133.66 142.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 36.4 m-85 -130.23 140.49 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' A' ' 35' ' ' ALA . 28.7 mm -108.21 109.16 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 67.84 35.95 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.52 24.34 73.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.86 119.13 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.554 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -46.47 142.05 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.12 170.46 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -116.33 156.11 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' HD21 ' A' ' 36' ' ' LEU . 95.5 m-85 -143.47 114.68 7.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.98 142.43 30.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 24.3 m-85 -45.47 152.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -117.81 148.06 42.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.8 p -88.48 41.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -116.53 -34.61 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 mmtt 68.85 -61.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -116.89 155.47 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 2.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.668 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 10.1 t -42.82 161.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.461 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -154.9 132.87 6.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.96 -0.73 10.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 46.8 t -119.95 103.88 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -81.82 126.11 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 20.9 t-160 -83.16 108.02 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG12 ' CD2' ' A' ' 32' ' ' LEU . 5.2 t -86.54 135.81 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -140.22 172.88 12.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 44.77 63.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 83' ' ' ALA . 54.4 mt -85.83 168.48 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' CB ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -73.55 165.98 24.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 108.308 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.95 -42.19 98.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.83 80.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 24' ' ' CYS . 2.8 t -116.44 134.73 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.87 174.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' VAL . 24.7 tt0 -56.5 -58.21 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.48 -66.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 22.6 m-20 -39.04 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt -84.03 -46.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' GLU . 97.7 t -55.99 -52.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -13.69 14.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' CB ' HD11 ' A' ' 78' ' ' ILE . . . -105.9 -1.47 24.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 HD23 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -138.02 17.24 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.7 pp20? -96.83 -17.5 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.57 ' CE ' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.87 -26.18 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 33.3 m-85 -74.99 -59.03 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.06 -146.53 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -89.0 139.18 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.362 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.36 112.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -61.22 -70.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 43.0 t80 -139.15 168.96 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.598 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.9 t -143.03 116.83 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpp -96.39 138.48 33.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 120.16 37.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.1 mtm -116.31 106.77 48.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.16 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -122.38 45.01 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? 52.09 47.3 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 1.9 mt-30 -108.92 174.51 5.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.26 149.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 7.7 mt -109.36 144.29 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.85 100.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.68 95.92 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 35.7 m-85 -65.7 154.43 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.22 -41.68 62.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -134.19 143.18 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.668 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -54.52 -49.59 64.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-20 -38.39 -32.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -73.05 -56.44 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.94 -45.23 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -52.78 -57.74 9.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -43.72 -63.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 t -52.26 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -39.16 -66.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' CE ' ' A' ' 38' ' ' LYS . 46.5 t80 -52.13 -35.32 47.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.11 7.64 18.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -109.28 -28.98 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.15 -32.63 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 76.7 t -111.99 141.24 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.0 139.03 23.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.502 1.791 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -130.08 140.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -129.72 143.38 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.492 HD11 ' CB ' ' A' ' 35' ' ' ALA . 42.1 mm -106.34 96.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 75.91 17.24 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.22 -21.3 31.43 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.411 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -91.09 129.62 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.15 144.73 57.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' HD23 ' A' ' 23' ' ' LEU . . . -141.81 177.64 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.83 150.48 39.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CE1' HD23 ' A' ' 36' ' ' LEU . 82.3 m-85 -135.46 124.36 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -153.68 159.22 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.61 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -62.98 132.28 51.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -81.53 133.56 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.5 p -41.26 -39.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 135.85 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -61.6 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -102.92 155.26 18.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.7 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.572 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 15.6 t -63.47 159.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 14' ' ' VAL . 40.6 t -159.4 143.71 11.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.41 21.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.5 t -109.43 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 85' ' ' PHE . 1.1 t -81.64 118.9 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.613 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 4.3 t-160 -80.04 107.46 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.89 135.22 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -133.14 173.76 11.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.1 54.01 10.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -91.88 160.65 15.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.59 165.69 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -1.3 28.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 62.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 24' ' ' CYS . 3.2 t -109.99 132.54 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.28 164.03 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 17.4 tt0 -46.43 -60.89 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -36.78 -65.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -39.74 -51.02 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 78' ' ' ILE . 1.6 mt -67.69 -40.41 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 37' ' ' GLU . 94.3 t -56.52 -43.19 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.98 -8.62 56.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -107.2 -11.68 15.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.7 mt -115.64 -44.98 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -50.84 -25.2 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.91 -15.89 36.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.1 m-85 -93.5 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -157.55 -129.96 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 m -102.02 148.55 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.2 mt -113.86 117.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.63 -64.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -148.41 161.64 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 73.1 t -135.59 125.53 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.433 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -108.16 143.8 36.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 46' ' ' MET . 1.6 mmt -110.27 110.11 20.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.522 ' CE ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -97.37 109.59 50.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -63.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -155.4 75.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 24' ' ' CYS . 5.0 mmp_? 43.28 43.06 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 7.1 tt0 -101.08 165.16 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.56 139.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 3.3 mt -110.97 139.1 46.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' CG1' HD11 ' A' ' 36' ' ' LEU . 54.5 t -123.08 101.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -87.46 94.76 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -67.29 164.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -57.01 -46.9 81.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.9 163.17 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 14' ' ' VAL . 17.9 tt -72.44 -38.98 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.17 -45.29 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -59.66 -54.85 41.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.78 -45.89 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -51.45 -52.39 46.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.4 tt0 -50.4 -54.05 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -50.1 -42.13 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 108.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG22 ' CE1' ' A' ' 87' ' ' TYR . 99.0 t -70.75 -72.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' GLU . 5.2 t -41.59 -37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CD1' HG11 ' A' ' 74' ' ' VAL . 16.1 t80 -67.19 -42.39 84.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.5 2.8 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.11 -30.11 8.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.61 -35.79 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.573 HG11 ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -126.24 137.6 30.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 126.14 9.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.803 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG22 ' CE2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -95.91 148.2 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.5 127.62 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 6.5 mm -104.34 105.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 64.73 38.09 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.11 31.2 57.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -143.55 116.91 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 17.4 tm0? -38.37 156.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . -152.31 159.24 43.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -121.27 128.64 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CE2' HG22 ' A' ' 76' ' ' VAL . 32.3 m-85 -115.41 116.78 28.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.77 138.96 34.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.9 m-85 -41.56 148.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' THR . 2.8 t -112.97 101.62 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.4 t -37.29 -34.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -42.14 -51.25 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 86.49 -50.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.14 143.97 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' A' ' 46' ' ' MET . 23.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.586 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 18.7 t -71.18 159.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.428 ' N ' HG11 ' A' ' 14' ' ' VAL . 12.9 t -156.31 143.19 13.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -14.4 21.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 14.9 t -106.58 110.16 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -84.82 126.68 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 23.8 t-160 -80.74 105.55 12.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.419 HG12 ' CD2' ' A' ' 23' ' ' LEU . 4.8 t -88.34 107.27 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.59 HH21 ' NE2' ' A' ' 53' ' ' GLN . 14.7 mtp180 -104.5 174.1 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.28 79.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 94.9 mt -118.76 179.81 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 158.84 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 2.1 tm-20 -62.6 -36.57 83.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -111.14 75.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -109.5 143.54 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.6 m -133.9 162.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 20.6 tt0 -41.69 -57.96 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -38.43 -64.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' ALA . 71.2 m-20 -39.83 -48.17 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.46 -55.48 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' GLU . 59.9 t -47.64 -52.48 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -34.99 65.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 78' ' ' ILE . . . -95.25 7.65 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 ' CZ ' ' A' ' 85' ' ' PHE . 6.0 mt -143.15 22.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 pp20? -106.81 -30.59 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -60.31 -24.36 64.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 30.4 m-85 -73.2 -65.03 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.77 -121.65 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -107.01 150.0 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -114.14 111.72 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -59.37 -73.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 50.9 t80 -135.81 171.78 13.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.3 t -145.33 141.75 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.421 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.9 ttm -124.95 144.27 50.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.454 ' CE ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -108.33 126.07 52.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.471 ' CE ' HD23 ' A' ' 55' ' ' LEU . 57.4 mtm -120.28 106.32 40.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.6 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.66 -68.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -135.14 48.49 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 1.5 mmt85 52.96 51.33 16.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.59 ' NE2' HH21 ' A' ' 21' ' ' ARG . 6.8 mt-30 -106.86 168.33 9.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -162.05 135.13 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 20.9 mt -106.96 147.15 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' CG2' HD13 ' A' ' 36' ' ' LEU . 4.0 t -137.96 105.82 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -86.43 98.18 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 39.6 m-85 -67.4 159.25 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.19 -49.48 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -124.91 169.15 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' A' ' 14' ' ' VAL . 18.7 tt -80.95 -16.36 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -70.46 -32.36 69.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 m -72.07 -54.35 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.73 -48.12 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HE3' ' CG2' ' A' ' 14' ' ' VAL . 13.0 mtpt -53.46 -53.03 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.6 tt0 -48.61 -44.49 37.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -61.31 -52.23 65.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 87' ' ' TYR . 99.1 t -54.02 -70.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 6.5 t -44.78 -49.91 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' ' HE3' ' A' ' 38' ' ' LYS . 60.8 t80 -52.06 -38.21 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.69 8.83 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.9 -32.2 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.86 -37.26 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -125.3 137.15 29.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.632 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.29 150.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.08 125.27 30.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 32' ' ' LEU . 3.4 mm -97.47 107.94 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.97 39.32 8.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.21 70.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -137.41 116.71 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.1 tt0 -37.81 140.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -138.89 157.89 45.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.87 130.71 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.632 ' CE2' ' CG2' ' A' ' 76' ' ' VAL . 20.9 m-85 -113.57 112.48 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 135.67 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 14' ' ' VAL . 22.8 m-85 -43.44 141.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -90.96 155.78 18.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -55.17 -55.16 34.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.79 173.27 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -97.25 -61.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -101.75 155.55 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.595 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.6 t -72.63 161.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.457 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 26.1 t -157.97 140.47 10.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.21 10.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.56 1.821 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.8 t -117.52 106.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -81.64 126.91 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 15.1 t-160 -80.64 106.03 12.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.37 118.67 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 1.5 mtt85 -123.37 162.74 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.13 55.25 28.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 70.7 mt -94.33 -173.23 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -175.11 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.87 -35.22 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 77.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.28 135.03 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.75 167.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 15.5 tt0 -52.22 -57.21 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.28 -62.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' ALA . 13.3 m-20 -39.68 -36.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.5 mt -83.13 -49.85 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' GLU . 92.3 t -51.12 -57.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -14.79 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.529 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.97 -0.63 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 56' ' ' VAL . 1.8 mt -138.77 17.83 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -97.88 -16.86 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.07 -20.45 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 29.9 m-85 -80.95 -60.35 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.14 -152.02 7.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 m -85.32 137.97 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -101.76 114.37 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -64.67 -70.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 28.2 t80 -138.39 166.04 25.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 62.2 t -141.81 125.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.8 ttm -110.95 141.83 43.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.74 128.19 54.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -121.67 106.3 37.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.74 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.02 48.68 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.91 39.31 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -99.87 169.28 9.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . . . -165.19 150.69 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 16.0 mt -115.99 141.03 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HD12 ' A' ' 36' ' ' LEU . 65.6 t -128.31 98.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -80.92 94.87 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.1 m-85 -67.42 156.91 35.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.53 -49.85 66.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.33 154.1 34.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' CD1' HG13 ' A' ' 14' ' ' VAL . 17.3 tt -66.94 -17.76 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.16 -44.55 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -56.52 -58.12 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -43.5 -46.06 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 10.4 mtpt -67.08 -38.02 84.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' SER . 5.1 tt0 -64.6 -35.26 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.7 t -69.74 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' ' 65' ' ' LYS . 1.6 m -34.89 -70.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.562 ' CG2' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -39.43 -59.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CE1' ' HE3' ' A' ' 38' ' ' LYS . 72.6 t80 -52.05 -35.55 47.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -86.53 7.22 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -111.72 -28.07 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -29.28 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 69.2 t -120.44 143.18 35.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.0 137.36 21.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.44 133.25 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -122.61 140.31 52.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.529 HD13 ' CB ' ' A' ' 35' ' ' ALA . 27.2 mm -107.42 96.23 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 84.06 14.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.95 -25.28 16.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 135.36 33.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.94 171.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.45 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -92.28 149.23 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' HB2' ' CB ' ' A' ' 71' ' ' ALA . 59.7 m-85 -132.46 122.37 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -155.2 160.62 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.6 m-85 -62.43 131.46 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -85.35 137.2 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 p -45.6 -45.68 13.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.54 166.79 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -106.54 -43.97 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -122.64 152.06 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 21.9 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.603 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 9.0 t -45.9 159.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 14' ' ' VAL . 41.8 t -153.45 141.77 14.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 92.3 t -114.69 104.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.45 122.0 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -80.46 109.27 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG11 ' CD2' ' A' ' 32' ' ' LEU . 6.9 t -86.96 124.87 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -122.48 167.69 13.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.41 56.4 22.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 59.4 mt -98.55 148.77 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -53.89 153.83 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -50.37 47.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -107.91 80.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 24' ' ' CYS . 2.1 t -108.16 135.58 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.39 168.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 23.7 tt0 -58.98 -54.39 47.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.17 -61.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -40.96 -29.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.8 mt -91.13 -45.45 8.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 ' O ' ' N ' ' A' ' 37' ' ' GLU . 47.8 t -55.32 -50.21 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.23 -7.16 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.77 -21.41 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD12 ' CG1' ' A' ' 56' ' ' VAL . 1.5 mt -104.43 -41.16 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.3 pp20? -47.6 -23.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.29 -25.43 67.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.61 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m-85 -82.51 -67.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.95 -128.8 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.2 m -103.69 147.12 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -112.73 121.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.5 t -70.52 -63.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 108.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 54.3 t80 -145.64 171.26 14.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 84.0 t -144.28 130.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 tpp -114.63 139.42 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.54 126.1 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.475 ' CE ' HD21 ' A' ' 55' ' ' LEU . 41.4 mtm -120.11 108.51 38.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -13.72 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.72 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.4 43.67 2.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.6 mmt-85 56.48 46.02 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -102.97 169.68 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -164.46 138.0 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.5 mt -103.96 138.96 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG1' HD12 ' A' ' 36' ' ' LEU . 49.2 t -125.34 97.08 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.1 tp10 -81.69 93.96 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.0 m-85 -66.85 161.18 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.24 -42.94 82.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.55 154.32 47.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CD1' HG13 ' A' ' 14' ' ' VAL . 13.6 tt -64.69 -25.53 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m -60.47 -56.17 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.93 -41.2 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -69.85 -37.07 76.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' SER . 3.7 tp10 -62.62 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.61 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 49.5 t -68.77 -69.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' HA ' ' A' ' 65' ' ' LYS . 1.2 m -34.81 -71.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.571 ' CG2' ' O ' ' A' ' 65' ' ' LYS . 1.3 t -37.68 -59.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.564 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 36.8 t80 -51.19 -37.72 48.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.84 8.8 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.23 -30.96 7.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -35.7 9.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.5 p -127.64 139.94 36.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.54 20.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -116.59 143.99 25.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -121.14 142.67 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 16.9 mm -116.62 96.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 83.94 26.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.11 -3.87 82.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -111.64 127.09 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -45.29 164.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 159.53 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.04 161.62 18.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CE1' HD22 ' A' ' 36' ' ' LEU . 80.3 m-85 -145.21 112.84 6.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -141.54 133.87 28.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 21.4 m-85 -40.36 136.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -89.52 144.83 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.2 p -79.95 -11.33 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.4 p -73.57 -41.75 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER 83.15 -52.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -124.8 147.73 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 8.2 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.579 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 39.9 t -56.2 158.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -162.19 142.84 7.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 61.5 t -113.6 104.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -82.16 126.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 19.7 t-160 -81.51 106.87 13.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 32' ' ' LEU . 4.0 t -86.65 137.27 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -146.13 159.92 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.1 67.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.45 153.17 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 160.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 108.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.84 99.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.5 81.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' OD1' ' A' ' 31' ' ' ASP . 2.3 t -116.4 159.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' N ' ' OD2' ' A' ' 31' ' ' ASP . 24.1 m -130.92 -165.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 26.1 tt0 -80.0 -57.87 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -35.77 -66.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.703 ' OD2' ' N ' ' A' ' 28' ' ' VAL . 1.8 p30 -36.01 -48.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 20' ' ' VAL . 3.0 mt -70.87 -48.54 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.0 t -49.78 -66.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -13.13 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -97.37 -2.7 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 85' ' ' PHE . 3.0 mt -129.35 -37.79 1.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -45.64 -29.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -58.78 -28.85 66.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 33.0 m-85 -79.41 -69.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.33 -145.36 4.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -92.41 147.69 22.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.2 mt -111.46 132.47 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -64.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 59.3 t80 -140.09 170.42 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 59.8 t -141.1 114.06 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.486 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -96.01 133.91 39.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 111.05 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.88 123.81 47.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.6 mtm -123.82 107.32 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 -12.5 21.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.7 -57.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.98 41.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 56.75 42.32 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 4.3 mt-30 -103.16 177.92 4.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.23 143.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.7 mt -104.67 139.0 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 36' ' ' LEU . 49.0 t -123.27 96.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -78.15 95.38 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 30.6 m-85 -68.14 158.19 33.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.05 -49.84 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.24 161.93 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 14' ' ' VAL . 17.3 tt -71.07 -36.4 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.81 -42.33 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ALA . 2.7 m -62.83 -60.61 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.67 -52.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.2 mtpt -42.74 -67.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -46.15 68.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.614 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 28.4 m -48.27 -49.05 34.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' ALA . 8.9 t -70.05 -67.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -39.29 -62.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 16.1 t80 -51.82 -32.51 31.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.76 8.41 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -113.47 -34.91 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -35.8 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.6 p -126.3 139.93 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.52 31.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.1 139.01 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.47 143.34 45.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.2 mm -106.6 105.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 75.43 6.66 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.09 -25.11 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.75 131.42 36.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.75 163.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.1 172.57 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.15 151.3 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 36' ' ' LEU . 94.6 m-85 -136.79 124.93 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.71 138.3 20.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.1 m-85 -40.68 138.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 40.6 t -80.38 153.03 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.4 p -54.55 -54.09 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 173.92 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.5 mmtm -87.13 -72.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -94.56 155.25 16.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.486 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 55.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.614 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.8 t -48.87 159.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 14' ' ' VAL . 3.5 t -159.61 142.02 9.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 44.5 t -117.29 102.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -81.4 123.08 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.6 107.81 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.17 128.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -127.4 163.26 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 62.61 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.75 161.34 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 167.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -14.32 61.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -140.15 74.26 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.91 145.35 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.27 169.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 37.2 tt0 -59.97 -55.27 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.19 -61.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -41.56 -29.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 78' ' ' ILE . 1.3 mt -92.36 -42.95 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' GLU . 47.3 t -53.76 -53.11 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.99 -6.63 29.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.23 -14.09 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 42' ' ' ILE . 2.0 mt -114.14 -40.32 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 pp20? -47.67 -26.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -58.92 -20.54 52.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 54.5 m-85 -88.6 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.16 -135.44 1.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 m -98.97 140.95 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -104.75 116.04 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.07 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 53.9 t80 -151.8 163.21 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 97.9 t -136.31 131.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.476 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 1.1 ttp -118.1 141.36 48.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.7 129.72 53.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -114.47 111.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -74.99 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 49.1 m-85 -151.26 127.92 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt 44.6 30.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 45.93 94.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.98 169.85 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 140.2 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.2 mt -105.43 136.81 44.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' CG1' HD13 ' A' ' 36' ' ' LEU . 51.4 t -124.31 96.56 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -81.22 94.47 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 29.4 m-85 -67.46 157.84 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.09 -48.86 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.33 162.1 22.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CD1' HG13 ' A' ' 14' ' ' VAL . 15.7 tt -69.6 -25.06 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.12 -53.79 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m -46.39 -56.04 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' O ' ' CG2' ' A' ' 68' ' ' VAL . . . -47.16 -44.98 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER -70.24 -37.48 74.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.612 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -68.23 -64.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.632 ' CG2' ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -39.37 -72.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.556 ' CG2' ' O ' ' A' ' 65' ' ' LYS . 1.5 t -37.5 -58.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.448 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 66.9 t80 -50.91 -39.79 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.82 8.67 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.48 -27.95 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -31.82 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 70' ' ' PHE . 75.9 t -116.86 140.61 27.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 133.47 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.47 133.85 67.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -122.07 135.63 54.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 14.7 mm -108.27 116.45 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 73.94 6.44 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.83 -22.58 18.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -93.29 145.25 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.21 161.12 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.91 165.37 15.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.24 112.9 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.13 136.42 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.8 m-85 -41.2 143.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -106.1 150.52 25.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.7 p -94.07 31.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -110.62 -26.72 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 2.7 mmtt 67.8 -67.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mtt180 -111.44 155.39 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 11.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.87 -58.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t 62.84 81.97 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.43 -73.16 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -174.34 82.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 110.036 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -45.29 122.57 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.09 -138.18 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t 60.86 153.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.96 148.16 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -87.34 174.28 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.15 155.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.33 -48.66 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m 55.25 168.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.582 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 24.5 t -52.59 159.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 14' ' ' VAL . 33.9 t -158.12 144.49 12.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.9 t -119.53 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -83.15 123.08 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.08 107.82 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 32' ' ' LEU . 5.7 t -86.89 126.05 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -133.44 156.67 47.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.48 49.23 26.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.39 172.57 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -77.5 165.59 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -31.57 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.9 m -118.82 77.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.4 t -116.46 142.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -119.18 178.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 33' ' ' VAL . 40.2 tt0 -67.12 -46.68 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -49.99 -61.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -40.56 -40.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG11 ' A' ' 20' ' ' VAL . 2.5 mt -79.47 -41.75 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 37' ' ' GLU . 60.5 t -56.67 -47.88 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.46 -7.14 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.47 -23.65 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.2 mt -103.07 -45.22 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.6 pp20? -45.14 -29.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -54.33 -24.75 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 58.1 m-85 -83.93 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.75 -130.72 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -100.39 147.41 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 10.9 mt -112.58 118.88 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -68.34 -61.86 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 41.5 t80 -148.75 168.13 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.557 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 70.7 t -143.44 135.47 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -118.76 141.43 48.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.96 132.75 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' ' HG ' ' A' ' 55' ' ' LEU . 2.9 mpp? -124.25 106.8 30.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -133.52 59.33 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.2 OUTLIER 42.16 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -128.24 171.23 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.55 146.45 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 12.4 mt -107.35 145.42 32.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 36' ' ' LEU . 63.1 t -131.3 99.86 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.62 95.04 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 24.8 m-85 -68.27 160.29 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.48 -50.76 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.2 163.52 26.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CD1' HG13 ' A' ' 14' ' ' VAL . 15.5 tt -64.76 -27.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -55.65 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -53.4 -55.02 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.493 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -40.39 -51.17 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -55.71 -56.05 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -41.27 -44.78 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 48.6 t -62.06 -55.74 25.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' ALA . 36.8 t -54.62 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 8.8 t -39.92 -53.89 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 16.6 t80 -61.76 -34.63 76.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -82.48 5.88 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.71 -33.07 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -33.09 16.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.7 p -132.84 139.19 33.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 148.74 35.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.81 146.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 28.5 m-85 -123.14 138.36 54.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.8 mm -102.26 120.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 54.94 36.07 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.31 29.06 62.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.14 120.67 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.8 tp60 -44.92 142.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.11 174.71 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -132.31 138.7 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.487 ' CE1' HD21 ' A' ' 36' ' ' LEU . 96.8 m-85 -122.93 115.42 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.74 140.45 33.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -45.28 127.98 7.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -71.31 160.42 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.2 p -64.81 -55.1 21.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.31 170.93 14.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -95.94 -41.51 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -122.15 152.25 40.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.9 mt -75.75 129.34 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.7 m -70.05 128.75 37.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -86.02 157.39 57.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.92 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.82 -109.46 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.05 119.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.76 153.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.89 176.83 16.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.41 2.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.9 t -141.4 132.14 25.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 p -100.88 129.57 46.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -118.05 105.79 12.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -150.39 126.39 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.73 158.2 18.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -140.07 155.4 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.92 94.56 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.89 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -157.18 -57.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 110.037 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 2.8 p80 -91.85 114.73 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.53 169.24 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.54 78.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.74 173.71 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.2 m -64.86 -178.13 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.599 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 43.3 t -72.59 155.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 33.1 t -152.71 141.37 14.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.6 t -118.97 106.25 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.91 122.04 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -81.76 108.03 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t -86.46 126.71 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.489 HH21 ' NE2' ' A' ' 53' ' ' GLN . 6.3 mtp180 -129.44 152.51 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.65 63.39 2.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' C ' ' NE2' ' A' ' 81' ' ' GLN . 98.6 mt -110.94 159.9 17.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.2 168.4 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.0 -0.24 23.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 62.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' CG1' HD12 ' A' ' 32' ' ' LEU . 1.9 t -104.3 137.13 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.1 m -110.96 -178.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 40.1 tt0 -68.61 -55.47 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.53 -63.41 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.6 -31.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.6 mt -88.84 -42.87 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' GLU . 60.4 t -54.05 -52.76 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.42 -7.17 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.548 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -104.18 -13.31 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' CG1' ' A' ' 56' ' ' VAL . 0.9 OUTLIER -115.11 -38.94 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -48.8 -28.57 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.25 -21.92 26.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 47.9 m-85 -87.25 -61.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.21 -134.6 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.8 m -97.46 147.24 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.5 mt -112.24 116.14 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.0 -62.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.351 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 44.6 t80 -150.82 165.66 32.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.517 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 92.7 t -140.28 124.3 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 ttp -104.62 139.01 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.36 109.19 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.39 111.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 55.71 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.555 1.818 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 38.6 m-85 -152.24 128.79 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 50.88 22.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? 48.67 82.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' NE2' HH21 ' A' ' 21' ' ' ARG . 19.8 mt-30 -134.43 175.12 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.97 139.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.0 mt -101.26 142.45 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' HD12 ' A' ' 36' ' ' LEU . 62.4 t -128.11 98.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -85.7 94.86 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 28.8 m-85 -66.94 165.04 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.21 -52.7 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.35 167.2 12.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' CG1' HG12 ' A' ' 14' ' ' VAL . 15.2 tt -77.09 -17.06 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.78 -38.06 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -66.56 -53.85 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.523 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -41.68 -49.87 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 14' ' ' VAL . 16.5 mtpt -55.53 -56.7 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -41.58 -45.3 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 47.9 t -61.87 -52.69 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 47.4 t -57.5 -71.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.439 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 10.2 t -39.0 -53.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.561 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 52.4 t80 -62.6 -37.74 87.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -82.25 4.4 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -108.16 -29.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.84 -33.06 7.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 70' ' ' PHE . 56.0 t -114.17 138.91 23.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.406 ' N ' HG12 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.0 139.59 24.46 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.6 138.85 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -122.44 137.87 54.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.548 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 12.9 mm -113.3 109.27 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.53 37.85 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.03 24.97 74.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 23' ' ' LEU . 3.9 tt0 -137.93 121.23 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.45 159.11 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.6 168.27 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -115.34 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 71' ' ' ALA . 89.6 m-85 -120.16 120.99 37.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -143.09 166.52 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.4 m-85 -70.33 141.79 52.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -103.89 130.17 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.6 p -76.68 57.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -133.49 -45.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 90' ' ' SER . 5.6 tptt 84.58 -54.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 144.37 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 12.5 mt -85.18 136.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -64.34 127.65 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -92.63 159.11 37.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.65 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 44.47 -116.73 1.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.48 -57.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -62.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.33 -170.86 19.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 95.83 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.6 t -130.83 136.79 48.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.51 -58.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.947 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -152.55 169.92 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -127.67 -59.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.21 71.74 0.92 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 161.79 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -111.68 -60.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.27 -178.81 33.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.36 166.94 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -80.37 -71.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 54.54 84.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -62.96 110.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.11 130.09 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 p -103.78 168.81 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.582 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 24.5 t -47.1 159.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 45.5 t -158.84 143.05 11.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.3 t -119.11 108.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -82.46 122.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 15.3 t-160 -80.3 104.53 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.59 117.86 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 135.01 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.1 36.44 4.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 23' ' ' LEU . 2.3 mp -82.19 -132.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.48 -171.09 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -37.99 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 46.8 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.12 135.59 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.94 172.71 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 22.8 tt0 -54.77 -58.72 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.57 -65.08 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.9 m-20 -39.11 -33.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLU . 3.1 mt -86.34 -45.59 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 37' ' ' GLU . 65.6 t -54.93 -48.69 74.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -7.72 23.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.23 -25.51 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 85' ' ' PHE . 1.3 mt -100.09 -46.03 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 33' ' ' VAL . 16.3 pt-20 -41.33 -37.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -43.83 -28.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 46.4 m-85 -80.85 -67.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -135.88 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 152.65 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 37' ' ' GLU . 6.2 mt -119.95 113.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t -62.63 -63.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.07 169.4 18.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 77.2 t -144.63 121.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -105.82 140.95 38.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.71 122.47 46.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.1 mtm -119.95 106.23 41.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.803 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.3 t80 75.36 -62.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.8 mttt -109.64 24.49 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 37.94 78.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 11.4 mt-30 -132.21 -179.8 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.13 138.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.9 mt -100.9 146.78 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 36' ' ' LEU . 66.6 t -132.47 100.8 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -87.58 94.77 9.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 31.8 m-85 -68.64 163.17 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -48.21 -53.14 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.67 166.08 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.48 ' CD1' HG13 ' A' ' 14' ' ' VAL . 19.3 tt -69.31 -24.01 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.61 -49.67 75.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -52.77 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.07 -49.62 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.53 -53.15 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.1 tp10 -43.2 -43.42 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.513 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 51.6 t -62.98 -58.38 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' ALA . 85.6 t -52.95 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 13.3 t -39.04 -53.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 39.4 t80 -62.18 -35.61 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -78.71 2.8 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.17 -31.05 7.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -31.17 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.7 p -134.88 139.96 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.55 36.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.08 149.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -127.95 142.55 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 36.4 mm -108.02 119.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.64 14.29 9.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.11 -16.64 49.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 17.1 mm100 -88.2 159.31 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.8 tp60 -80.7 138.6 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.53 167.97 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -120.68 169.6 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CE1' HD23 ' A' ' 36' ' ' LEU . 87.7 m-85 -149.1 117.49 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 140.1 24.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 24.0 m-85 -41.24 145.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.5 t -96.93 135.74 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.3 p -43.68 -41.42 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.22 170.49 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -106.11 -48.88 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 3.2 ttt180 -120.66 142.36 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.492 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 36.0 mt -70.73 145.43 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 93' ' ' ILE . 3.0 p -85.33 141.14 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -90.96 152.61 44.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.4 26.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 102.82 -159.95 17.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -174.77 156.3 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.794 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -153.7 151.99 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.11 87.82 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.67 5.26 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.5 p -90.32 137.96 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 39.6 87.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -161.66 145.05 12.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.1 97.77 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.14 61.23 4.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.85 105.87 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.37 -171.24 21.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.4 p -167.81 166.34 13.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 0.759 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -105.54 146.26 29.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.3 66.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.586 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 53.33 70.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.3 136.79 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 p -98.7 171.26 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 38.8 t -44.26 158.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 t -161.58 140.76 7.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.81 17.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.9 t -113.24 106.21 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.82 122.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -80.55 108.68 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.552 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.6 t -86.58 132.67 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -131.15 172.61 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.29 61.24 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.89 -177.28 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' CB ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.81 -173.54 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -42.46 15.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -113.63 73.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 24' ' ' CYS . 3.9 t -106.06 133.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.1 m -116.98 176.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 14.4 tt0 -57.45 -59.53 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.1 -62.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 15.3 m-20 -39.63 -37.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -83.13 -51.12 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 37' ' ' GLU . 69.7 t -49.22 -57.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -14.55 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.75 -0.68 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 85' ' ' PHE . 2.9 mt -139.8 18.82 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -98.14 -17.82 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -23.94 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 46.8 m-85 -77.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.93 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 m -87.54 136.62 32.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.13 112.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -58.96 -71.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -137.75 170.35 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 73.5 t -144.06 113.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.72 137.63 37.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.75 110.6 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.448 ' CE ' HD22 ' A' ' 55' ' ' LEU . 69.3 mtm -100.7 108.05 51.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -146.26 130.0 17.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp 43.95 30.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 47.02 84.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.88 173.38 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 156.21 6.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD22 ' CE ' ' A' ' 48' ' ' MET . 7.9 mt -116.06 137.78 51.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' HD12 ' A' ' 36' ' ' LEU . 38.1 t -124.54 96.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -81.23 95.16 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 22.8 m-85 -66.15 156.16 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -52.43 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.22 171.9 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 14' ' ' VAL . 16.5 tt -81.27 -36.23 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -51.3 -29.24 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -73.8 -59.7 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.9 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -42.08 -59.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.6 tp10 -61.35 -45.13 95.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -52.55 -39.79 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' ALA . 74.2 t -76.12 -71.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -38.08 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.521 ' CD1' HG11 ' A' ' 74' ' ' VAL . 17.8 t80 -68.42 -46.74 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -66.1 -9.1 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.3 -39.97 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.36 40.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.521 HG11 ' CD1' ' A' ' 70' ' ' PHE . 2.0 p -143.56 140.08 17.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.87 153.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.466 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.4 m-85 -132.75 137.69 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 16.8 mm -106.0 107.72 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 71.82 26.63 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.55 -3.86 85.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -107.79 122.98 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.466 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 6.9 tm0? -47.9 165.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.39 160.82 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 15.8 m-85 -112.14 146.69 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 36' ' ' LEU . 86.1 m-85 -131.49 118.05 19.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.12 149.89 35.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.0 m-85 -49.43 148.16 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' SER . 5.4 m -112.66 102.56 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.33 -31.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 1.2 m -43.38 -52.41 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' SER . 14.5 tptt 85.39 -49.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.74 148.28 46.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 14.8 mt -88.22 123.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.1 m -72.21 126.03 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -93.13 153.57 41.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 98.01 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.04 -128.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.83 95.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.7 t -124.97 94.38 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.87 -146.06 20.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.56 40.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 140.8 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.77 96.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 71.58 -67.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.56 106.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 176.36 54.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 44.52 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -118.8 124.45 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.35 142.49 3.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p -174.49 121.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -127.22 121.46 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -146.44 -67.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.96 132.38 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -140.64 -59.91 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m 68.39 143.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.587 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 9.3 t -43.5 161.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.44 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 14.7 t -154.68 143.9 15.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 48.6 t -108.39 111.13 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -85.94 128.44 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.81 106.54 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.5 t -86.38 126.25 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -130.33 165.32 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.27 54.91 33.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -97.37 160.21 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -62.09 172.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 108.32 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.49 -46.88 62.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.51 80.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 32' ' ' LEU . 2.6 t -114.62 146.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.5 m -125.01 -174.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 19.3 tt0 -69.59 -60.92 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -38.9 -65.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' ALA . 12.3 m-20 -37.9 -40.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.3 mt -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.6 t -51.03 -48.95 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -16.29 27.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.05 -0.04 25.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -137.57 17.55 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.8 pp20? -100.15 -18.22 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -22.95 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 27.9 m-85 -76.92 -64.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.49 -135.96 1.97 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -95.94 143.77 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.9 mt -107.72 113.04 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.0 t -62.76 -71.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -135.94 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.487 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 61.2 t -144.85 111.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.465 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -96.01 138.26 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 132.86 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.416 ' HE3' ' N ' ' A' ' 54' ' ' ALA . 1.8 mpp? -123.96 106.96 31.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -9.97 21.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -45.88 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -132.69 45.13 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? 54.05 43.17 31.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -104.01 170.98 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' HE3' ' A' ' 48' ' ' MET . . . -169.86 146.86 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.9 mt -106.73 147.5 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 36' ' ' LEU . 55.2 t -132.06 100.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.2 tp10 -84.67 95.8 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 25.2 m-85 -68.22 163.11 23.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.5 -45.23 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 166.78 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.475 ' CD1' HG11 ' A' ' 14' ' ' VAL . 19.2 tt -75.37 -12.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -74.14 -25.92 60.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.3 m -80.07 -56.76 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -40.14 -43.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -61.41 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -39.05 -45.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 23.8 t -57.28 -60.01 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.0 t -48.37 -71.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -42.04 -54.04 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 13.9 t80 -53.85 -40.33 66.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' VAL . . . -79.14 6.52 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.49 -32.01 8.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -34.76 11.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -127.29 135.04 26.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.91 8.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.39 150.18 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.94 128.98 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 25.8 mm -97.73 107.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 59.42 36.18 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.84 39.34 20.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.404 ' OE1' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -150.76 116.09 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.3 tt0 -43.63 143.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -140.05 156.8 46.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -114.1 129.18 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CE2' HG21 ' A' ' 76' ' ' VAL . 19.0 m-85 -114.72 113.57 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -134.74 164.38 27.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 21.2 m-85 -72.1 125.98 28.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -83.77 115.5 22.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.9 p -53.46 -21.97 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -63.97 -25.66 68.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.7 mmtm 69.52 -62.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 22.9 mmt85 -113.54 153.85 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 20.0 mt -86.75 135.85 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.3 m -77.62 127.72 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -90.52 153.95 46.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.01 36.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 80.1 86.24 0.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.13 -59.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -81.23 -64.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.77 -149.3 49.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.34 3.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.774 . . . . 0.0 111.051 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.94 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 p -142.95 105.96 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.0 128.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -177.94 142.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.55 167.7 35.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -165.98 166.73 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -118.19 168.73 10.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 101.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.98 150.77 31.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 0.812 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 108.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -169.61 -59.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -115.12 160.87 19.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.7 t 66.01 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -103.7 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.588 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 2.8 t -53.04 164.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 43.4 t -161.09 135.66 5.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.01 18.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 57.2 t -113.77 103.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -81.95 123.15 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 15.0 t-160 -80.55 106.74 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG12 ' CD2' ' A' ' 32' ' ' LEU . 2.9 t -86.54 118.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -119.19 169.77 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.02 68.61 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -86.75 174.69 8.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -9.14 59.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.53 71.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -108.84 150.68 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -127.76 178.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 28.4 tt0 -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.98 -63.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ALA . 34.6 m-20 -40.17 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.7 mt -90.78 -43.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' GLU . 52.5 t -53.91 -50.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.51 -7.94 29.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.28 -11.5 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 HD22 ' CE1' ' A' ' 85' ' ' PHE . 1.4 mt -114.89 -37.15 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -49.45 -23.76 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -14.82 52.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 49.9 m-85 -96.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.71 -151.1 6.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -82.39 147.12 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.1 mt -110.99 115.04 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -66.15 -58.36 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -151.43 166.53 30.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 72.8 t -142.76 124.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -108.58 141.85 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.45 132.28 54.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.3 mtm -124.14 106.54 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 -17.01 19.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.29 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.18 54.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.17 74.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 5.0 mt-30 -139.07 170.26 16.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.94 145.19 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.9 mt -106.47 145.93 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 36' ' ' LEU . 56.0 t -130.87 100.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -85.94 94.52 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m-85 -67.35 155.03 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.27 -54.93 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -120.8 165.85 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' CD1' HG13 ' A' ' 14' ' ' VAL . 21.3 tt -73.83 -35.57 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -48.44 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 3.3 m -52.39 -61.32 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . . . -41.32 -56.4 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 14' ' ' VAL . 20.0 mtmt -39.76 -57.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.91 -43.6 98.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.2 m -55.04 -38.89 68.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' ALA . 99.5 t -76.55 -69.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -40.19 -37.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 11.9 t80 -70.76 -40.83 72.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.64 0.39 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.59 -31.52 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -29.3 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 70' ' ' PHE . 1.6 p -136.89 138.78 26.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.98 40.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.22 149.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.7 m-85 -126.37 136.72 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -105.56 114.7 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.12 35.72 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.97 19.81 79.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.86 121.78 28.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.4 tp60 -48.13 143.74 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.32 176.98 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -131.42 145.51 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CE1' HD22 ' A' ' 36' ' ' LEU . 97.9 m-85 -132.41 115.41 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.25 27.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.9 m-85 -42.96 135.81 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -85.82 157.88 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.7 p -61.49 -49.34 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -74.37 176.41 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.23 -45.29 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -124.08 149.46 46.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.404 ' CG2' ' HB2' ' A' ' 46' ' ' MET . 58.2 mt -71.27 142.87 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.27 130.53 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -95.9 154.02 39.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.28 3.44 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.8 145.97 4.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -138.15 157.75 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.76 158.15 44.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.43 159.44 30.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.24 41.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -111.58 -56.79 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 58.27 85.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 142.45 34.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.34 148.8 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.68 177.7 29.42 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -169.56 133.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.27 174.6 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.36 -178.52 28.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.07 167.34 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -165.69 111.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -153.78 99.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 126.68 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.51 157.36 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.9 p -116.98 -179.51 3.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.594 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 9.4 t -59.94 161.45 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 28.8 t -157.93 144.5 12.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.08 17.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 53.3 t -113.57 104.29 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -82.19 122.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.58 108.11 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 t -86.1 130.53 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -133.73 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.53 68.35 0.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -106.31 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.13 -174.85 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 -34.49 22.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 76.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG21 ' CB ' ' A' ' 24' ' ' CYS . 19.5 t -108.79 144.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -127.89 161.69 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' VAL . 15.6 tt0 -43.82 -56.81 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -43.04 -63.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -42.17 -29.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.5 mt -90.98 -40.67 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 37' ' ' GLU . 89.6 t -55.82 -45.17 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -7.76 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.76 -15.33 14.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 1.2 mt -114.15 -48.52 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.65 -30.02 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -55.81 -18.4 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.2 m-85 -91.45 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.5 -134.43 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 42' ' ' ILE . 18.5 m -100.39 146.67 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.6 mt -112.76 120.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.1 t -68.91 -63.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CD1' HG23 ' A' ' 93' ' ' ILE . 56.9 t80 -145.66 166.98 24.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 76.4 t -141.85 128.24 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -114.56 133.58 55.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.2 135.88 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -123.67 106.29 32.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.04 9.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -53.41 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.58 56.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.23 74.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -142.64 173.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.6 147.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.3 mt -104.58 142.5 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 36' ' ' LEU . 61.9 t -126.95 97.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -82.97 94.95 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.2 m-85 -67.97 158.36 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.22 -36.75 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -135.84 154.61 51.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 14' ' ' VAL . 16.4 tt -64.5 -35.52 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -52.95 -42.35 65.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.49 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 16.9 m -61.98 -53.74 51.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.55 -44.06 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -58.33 -60.86 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 7.1 tt0 -39.22 -44.6 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 85' ' ' PHE . 36.3 t -59.42 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ALA . 21.0 t -51.09 -71.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 7.6 t -40.74 -52.05 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 17.1 t80 -54.37 -37.75 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -76.08 2.55 12.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.82 -30.05 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -35.53 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.498 HG12 ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -127.81 134.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.636 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -91.75 145.82 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -134.68 125.88 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.599 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 21.1 mm -93.52 97.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 78.76 9.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.08 -22.53 12.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -85.39 132.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 2.0 tp60 -49.65 142.01 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 78' ' ' ILE . . . -134.85 163.07 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 3.4 m-85 -128.77 131.88 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' CE2' HG21 ' A' ' 76' ' ' VAL . 30.0 m-85 -120.08 121.0 37.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.34 163.14 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.2 m-85 -69.23 144.82 53.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 t -118.62 128.69 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.6 p -74.89 56.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -43.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 12.5 mmtm 72.03 -60.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 7.0 ttt180 -105.1 144.61 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 44' ' ' TYR . 24.5 mt -95.49 124.82 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.6 m -57.25 130.01 44.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -98.18 153.57 38.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.1 40.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.813 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.33 155.86 53.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -123.81 124.19 42.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.5 t -87.26 -60.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.21 -98.73 0.91 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.04 2.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.47 -60.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 122.63 29.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 63.11 105.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -70.82 108.05 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.76 -160.95 39.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -176.89 155.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 p -126.51 143.43 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.935 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.17 150.41 8.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -172.4 139.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.046 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -85.3 133.42 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.575 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -153.21 -59.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.37 160.45 24.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t 66.76 142.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 t -101.19 -178.62 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.597 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 24.1 t -58.79 158.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.439 ' N ' HG11 ' A' ' 14' ' ' VAL . 19.8 t -157.3 142.6 12.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -13.17 21.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 54.5 t -109.05 105.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.37 124.91 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -81.96 110.53 17.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 32' ' ' LEU . 6.0 t -86.63 127.92 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -124.69 172.33 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.52 71.25 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -107.11 173.65 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.456 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -80.42 -174.84 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -41.61 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.22 69.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG21 ' CB ' ' A' ' 24' ' ' CYS . 2.4 t -103.2 136.99 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.58 163.4 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 26.4 tt0 -49.57 -57.52 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.77 -63.01 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ALA . 17.4 m-20 -40.17 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 20' ' ' VAL . 2.5 mt -90.17 -42.87 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 37' ' ' GLU . 40.1 t -54.22 -54.16 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.12 -7.21 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.553 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -103.63 -13.58 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.2 mt -115.93 -40.38 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.1 pp20? -44.2 -33.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' CE ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.18 -27.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 34.5 m-85 -82.62 -65.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.42 -140.09 2.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -91.52 152.39 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.1 mt -118.08 113.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -62.48 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 51.7 t80 -146.53 171.04 15.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.3 t -145.23 122.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -104.98 138.92 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.88 121.96 45.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.2 mtm -121.12 106.41 38.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.07 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.1 t80 72.18 -60.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -106.34 20.68 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.0 60.15 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.79 174.25 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.54 140.38 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 9.7 mt -101.49 144.6 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 36' ' ' LEU . 55.1 t -130.04 99.75 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -84.98 94.76 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.32 161.69 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -51.72 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.38 172.55 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CD1' HG11 ' A' ' 14' ' ' VAL . 19.8 tt -82.17 -9.76 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.95 -41.45 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -52.99 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.59 -49.68 2.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -52.62 -52.7 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -47.26 -50.68 20.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.8 t -49.78 -54.24 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' ALA . 3.4 t -58.72 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.14 -62.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 30.8 t80 -52.58 -33.02 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.26 9.2 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.76 -31.63 6.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -36.33 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 2.2 p -127.32 138.72 33.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.41 33.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.5 138.62 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 25.7 m-85 -120.25 146.83 45.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.553 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 11.0 mm -111.09 118.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.17 34.49 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.89 35.55 49.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.39 123.38 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -50.07 143.92 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.4 174.74 10.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -128.75 144.69 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' HD21 ' A' ' 36' ' ' LEU . 91.1 m-85 -129.43 112.2 13.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -140.74 136.39 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.3 m-85 -44.01 130.93 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -73.04 158.38 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -65.06 -40.15 94.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.78 169.01 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 28.5 mmtt -87.48 -71.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 11.0 mtm105 -101.22 155.04 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.3 mt -72.1 140.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -70.54 133.2 46.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -105.11 147.91 35.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 53.45 172.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 175.61 123.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -171.27 118.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 99.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.6 p -152.46 -53.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -45.6 -56.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -110.02 127.22 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 109.957 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -168.16 103.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.95 -128.53 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 65.31 160.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 61.96 158.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 119.73 2.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.23 115.04 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -175.66 157.75 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.19 82.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -143.29 85.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 129.21 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 p -98.73 172.95 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.585 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 38.0 t -50.38 159.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.2 t -158.05 143.9 12.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 44.2 t -114.72 106.28 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 t -81.71 121.66 35.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 21.2 t-160 -80.41 104.64 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.66 118.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 138.12 49.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.78 38.88 4.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 32' ' ' LEU . 2.3 mp -82.59 -133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.68 -172.74 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.5 -23.99 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.67 65.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.96 147.41 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 167.68 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' VAL . 30.3 tt0 -54.45 -56.11 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.12 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 69.5 m-20 -38.38 -32.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -86.19 -47.95 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' GLU . 73.7 t -53.85 -47.53 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -66.93 -8.19 27.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.75 -29.13 10.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD22 ' CE1' ' A' ' 85' ' ' PHE . 1.1 mt -93.7 -44.96 7.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 20.4 pt-20 -44.07 -34.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -49.06 -25.48 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 50.4 m-85 -81.9 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.92 -126.59 0.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -104.97 146.33 29.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 37' ' ' GLU . 5.8 mt -111.47 125.41 68.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.1 -63.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 31.8 t80 -146.27 166.34 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.612 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.0 t -142.32 132.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -114.54 141.99 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.95 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.6 mtm -122.03 109.07 33.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.11 19.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -40.07 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -141.17 59.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.66 76.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 10.0 mt-30 -139.11 -179.87 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.17 138.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 11.0 mt -100.9 146.16 27.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 36' ' ' LEU . 71.8 t -133.23 102.41 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -88.57 94.61 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -67.87 158.17 33.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.4 tm-20 -42.38 -55.38 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.49 172.29 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HG12 ' A' ' 14' ' ' VAL . 21.0 tt -78.1 -16.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.89 -55.48 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -56.85 -44.29 81.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.89 -47.99 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -54.68 -56.64 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -43.29 -53.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 38.3 t -46.73 -60.66 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' THR . 4.4 t -55.04 -71.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -38.36 -64.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 47.6 t80 -51.69 -39.24 57.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -81.82 4.64 21.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.02 -28.18 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -28.57 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 79.4 t -118.58 141.49 29.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 141.34 26.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 t -132.71 131.65 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 35.6 m-85 -119.36 140.75 49.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.56 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 17.7 mm -111.45 115.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.83 33.3 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.0 10.03 86.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.12 122.48 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.7 tt0 -51.49 142.16 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.9 171.65 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -126.31 148.88 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' HD22 ' A' ' 36' ' ' LEU . 98.1 m-85 -131.62 125.45 32.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -154.0 142.89 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 24.7 m-85 -45.08 138.74 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -84.45 162.71 19.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.1 p -64.35 -49.06 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.96 171.36 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 11.3 mmtm -95.06 -58.71 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 155.38 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.3 mt -76.2 132.3 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -72.01 129.58 38.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -95.35 156.28 37.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 111.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.24 -141.56 9.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.68 105.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 p -100.67 147.37 26.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -55.28 156.4 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.51 4.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.87 116.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 61.18 163.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -160.6 147.0 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.72 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -115.8 169.4 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.77 -159.72 33.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.46 142.49 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.45 113.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.9 134.18 3.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -157.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 67.1 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' SER . 27.2 m80 71.09 128.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -84.46 171.66 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.66 176.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 172.71 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.583 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 32.7 t -60.51 158.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.9 t -160.24 140.67 8.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 38.7 t -110.91 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 85' ' ' PHE . 1.8 t -81.74 125.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.539 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 23.7 t-160 -80.52 104.94 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.559 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -86.41 118.38 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -124.86 166.11 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 66.59 2.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.9 -176.73 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 179.37 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -85.22 -5.24 59.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 t -144.33 64.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.54 136.53 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.16 158.33 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 33' ' ' VAL . 13.7 tt0 -47.21 -50.65 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -38.95 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.91 -32.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -82.91 -44.88 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.7 t -53.81 -53.42 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -7.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.84 -6.94 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD21 ' CE1' ' A' ' 85' ' ' PHE . 2.7 mt -121.82 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.64 -27.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -58.84 -28.42 66.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 43.3 m-85 -79.43 -64.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.46 -138.26 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -98.87 143.87 28.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.1 mt -103.79 127.0 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -78.45 -68.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 45' ' ' VAL . 49.0 t80 -142.94 155.55 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.61 ' O ' ' CE1' ' A' ' 44' ' ' TYR . 11.3 m -121.17 158.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 55' ' ' LEU . 1.7 ttm -137.02 134.75 36.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.2 mmt -107.59 117.49 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -122.33 106.35 35.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.44 18.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.18 -64.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -139.01 37.33 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 55.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 19' ' ' HIS . 31.2 mt-30 -116.84 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.51 143.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 24.2 mt -109.64 145.44 36.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 36' ' ' LEU . 18.3 t -133.26 97.67 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.1 tp10 -79.55 94.47 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 28.2 m-85 -64.54 152.14 42.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -42.04 -53.14 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.91 160.49 31.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 14' ' ' VAL . 15.5 tt -66.83 -37.84 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -41.93 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.7 m -60.39 -62.25 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -51.4 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HG2' ' CG1' ' A' ' 14' ' ' VAL . 13.4 mtpt -41.49 -59.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -61.37 -45.76 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.9 m -53.45 -39.14 64.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 71' ' ' ALA . 95.6 t -76.67 -70.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -39.7 -37.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 74' ' ' VAL . 23.8 t80 -70.39 -42.16 72.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -71.61 -4.06 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.25 -35.58 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -27.65 23.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 70' ' ' PHE . 1.6 p -139.75 139.0 20.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.18 40.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.03 152.85 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 67.2 m-85 -132.89 137.82 46.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 12.4 mm -106.17 110.35 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 71.62 14.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.35 -16.94 48.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -89.62 143.36 26.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.6 tt0 -72.41 139.89 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -135.0 -177.21 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.84 134.44 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE1' HD21 ' A' ' 36' ' ' LEU . 98.2 m-85 -119.3 113.51 20.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.3 138.23 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.3 m-85 -40.69 144.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -95.82 144.94 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 p -53.35 -36.61 61.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.2 169.83 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -105.25 -42.87 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -120.46 149.06 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 33.7 mt -73.24 134.67 29.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.1 m -71.26 125.62 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -90.27 155.35 46.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 121.95 169.4 13.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.89 102.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 -62.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.51 165.5 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -120.15 148.18 43.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.34 155.61 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 64.73 -88.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.73 -56.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.88 75.94 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -125.76 100.52 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -151.1 81.72 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.09 120.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -145.16 160.05 42.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 109.982 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 -60.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 m80 62.05 88.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.92 65.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.57 140.76 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 p -104.28 177.56 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.587 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 17.2 t -55.66 159.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' HG11 ' A' ' 14' ' ' VAL . 46.7 t -155.33 141.74 13.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.9 13.14 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 22.1 t -116.92 109.24 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.63 123.99 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 22.7 t-160 -80.32 105.88 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t -86.71 113.01 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.14 164.57 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.82 68.49 1.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 93.9 mt -111.83 -175.59 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.17 153.85 21.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.41 -15.3 35.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.37 65.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.03 138.39 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.41 158.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 33' ' ' VAL . 2.9 tt0 -47.27 -51.48 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -39.99 -67.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.04 -29.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.8 mt -88.79 -42.91 11.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 29' ' ' GLU . 91.5 t -56.01 -50.94 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -7.55 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.96 3.01 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.519 ' CD1' HG23 ' A' ' 56' ' ' VAL . 5.2 mt -135.5 -42.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -46.38 -24.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -22.55 64.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 51.1 m-85 -82.15 -67.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.2 -121.92 0.88 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 m -118.45 141.5 48.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.456 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -101.6 127.49 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 t -79.57 -69.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 45' ' ' VAL . 56.5 t80 -138.23 157.69 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.595 ' O ' ' CE2' ' A' ' 44' ' ' TYR . 12.3 m -124.28 158.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.498 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -138.19 136.49 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mmt -106.71 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 55' ' ' LEU . 31.1 mtm -115.63 113.13 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LYS . 18.0 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 57.96 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PRO . 4.9 mmtp -70.92 -8.57 53.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 59.56 44.02 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 75.1 mt-30 -96.81 172.0 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . . . -162.13 138.9 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.4 mt -107.08 143.98 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG23 ' CD1' ' A' ' 36' ' ' LEU . 54.6 t -135.26 95.95 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -77.64 95.17 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.7 m-85 -63.73 152.77 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -43.8 -44.06 6.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 164.82 26.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CD1' HG11 ' A' ' 14' ' ' VAL . 10.0 tt -69.13 -26.62 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -53.31 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -55.53 -52.06 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -44.08 -53.32 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -56.7 -54.11 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.9 tp10 -43.35 -45.3 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 25.2 t -61.36 -54.94 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' ALA . 34.3 t -54.01 -71.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 8.8 t -40.64 -53.84 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 74' ' ' VAL . 15.6 t80 -60.05 -34.5 73.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -80.07 3.11 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.71 -32.82 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.25 -31.71 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.538 HG13 ' CD1' ' A' ' 70' ' ' PHE . 1.5 p -135.0 138.39 29.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.34 35.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -127.85 153.7 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.11 134.5 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 5.7 mm -105.74 122.26 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 56.89 33.47 23.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.97 24.92 72.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.3 mm-40 -127.97 150.84 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.2 tp60 -77.71 139.04 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.47 174.88 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -128.6 144.32 51.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.81 116.23 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.57 139.52 28.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 19.8 m-85 -44.22 143.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.96 144.79 26.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -51.07 -42.75 60.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.97 144.54 25.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -52.0 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -107.04 154.79 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 71.6 mt -70.75 126.75 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.2 m -70.33 128.77 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -91.16 156.11 44.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.66 -154.49 12.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -133.57 162.92 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.3 t -144.58 139.91 28.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -148.89 173.62 28.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.14 42.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.2 t -136.88 116.86 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -112.47 153.99 26.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m 53.85 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -164.96 131.02 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.53 77.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 p -140.96 92.77 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -138.7 168.71 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.41 92.68 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.08 145.02 31.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -121.24 92.32 3.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -148.67 149.94 32.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 158.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t 62.75 138.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -127.28 112.64 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.654 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 97.1 t 58.94 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 28.9 t -159.16 134.84 6.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' HG12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.3 t -126.87 101.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -80.89 120.21 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 15.7 t-160 -80.43 109.07 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 32' ' ' LEU . 7.8 t -86.02 116.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' NE ' ' CE1' ' A' ' 19' ' ' HIS . 13.2 mtt180 -113.64 173.93 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.64 64.34 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.3 mt -102.79 169.03 8.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' CB ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -81.62 157.91 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -27.85 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.94 72.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 24' ' ' CYS . 2.4 t -117.34 137.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.34 -179.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 21.7 tt0 -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.66 -66.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . 7.7 m-20 -38.14 -35.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.5 mt -84.37 -47.43 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 37' ' ' GLU . 71.3 t -54.71 -47.42 73.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -9.54 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.89 -39.05 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -84.29 -51.61 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 pp20? -40.16 -34.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -47.92 -25.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 52.2 m-85 -82.93 -70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.88 -121.69 0.95 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 42' ' ' ILE . 15.6 m -112.26 148.05 34.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.9 mt -112.82 123.06 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -60.22 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 24.8 t80 -145.36 164.44 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.631 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 81.0 t -140.41 117.65 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.443 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -100.38 137.15 39.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.85 119.11 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.464 ' CE ' HD22 ' A' ' 55' ' ' LEU . 70.1 mtm -111.15 106.57 57.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.63 17.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 14.1 mttt -130.52 58.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 44.69 61.61 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 6.3 mt-30 -125.43 166.69 16.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.2 141.07 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -103.25 142.15 34.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' HD12 ' A' ' 36' ' ' LEU . 53.7 t -128.18 98.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 2.0 tt0 -85.15 96.27 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.38 156.03 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.43 -48.34 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.01 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.613 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -51.1 -46.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ILE . 68.2 m-20 -38.82 -54.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 15' ' ' SER . . . -51.07 -45.72 61.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CD ' HG13 ' A' ' 14' ' ' VAL . 7.7 mtpt -58.26 -52.58 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.2 tt0 -51.49 -42.34 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 41.8 t -62.22 -63.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' ALA . 70.6 t -50.55 -71.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 7.7 t -36.55 -52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 70.2 t80 -63.06 -41.51 99.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -81.5 5.1 18.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -107.66 -27.39 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.26 -27.4 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 70.4 t -120.52 143.07 35.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.06 146.4 32.38 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 t -137.16 138.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 43.8 m-85 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.505 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -114.46 106.2 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 78.6 14.05 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.28 -14.83 56.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.0 125.95 46.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -48.06 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.88 -175.12 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.76 148.31 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.49 ' CE1' HD23 ' A' ' 36' ' ' LEU . 89.8 m-85 -137.28 120.21 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -147.34 160.18 42.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CE2' ' HA ' ' A' ' 14' ' ' VAL . 22.8 m-85 -62.66 133.15 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 17.4 t -93.71 139.15 31.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 p -84.73 45.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -123.76 -41.06 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.942 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.6 OUTLIER 82.42 -61.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.06 156.0 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 13.5 mt -100.45 120.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.9 m -50.75 136.92 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -95.29 156.11 38.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.58 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.89 86.0 1.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -97.63 149.7 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.18 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.69 120.22 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.79 42.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.7 m -127.53 101.87 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -125.31 93.49 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -89.77 141.12 28.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.3 123.67 0.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -173.89 110.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.99 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -159.05 154.85 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.954 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.5 73.43 0.23 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.71 88.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 91.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.641 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -122.67 45.02 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -131.72 73.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -145.16 145.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 p -109.47 171.91 7.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 41.7 t -46.27 157.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -154.44 146.87 17.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -9.24 20.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 21.2 t -112.24 108.03 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -83.55 122.22 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -80.24 106.22 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.75 123.82 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -128.23 161.29 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 53.17 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.8 mt -97.88 170.14 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.55 162.68 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.63 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -115.66 77.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.2 t -117.53 148.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 -179.72 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 25.4 tt0 -65.79 -56.67 10.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.84 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -40.7 -30.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.2 mt -89.28 -42.93 11.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 37' ' ' GLU . 54.5 t -55.57 -49.28 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.96 -6.87 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.527 ' CB ' HD12 ' A' ' 78' ' ' ILE . . . -106.38 -23.95 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -104.24 -51.65 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -39.59 -31.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.61 -24.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 53.0 m-85 -84.23 -67.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.68 -131.14 1.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -101.76 146.2 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 45' ' ' VAL . 13.5 mt -111.62 111.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.7 t -60.74 -61.54 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 37.9 t80 -146.17 168.47 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.615 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 92.9 t -144.45 131.13 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -115.0 139.25 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.99 126.94 52.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.447 ' HE2' ' CD2' ' A' ' 55' ' ' LEU . 66.4 mtm -121.38 106.33 38.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.26 21.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -41.9 -65.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 7.8 mttt -139.07 59.58 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? 42.04 59.85 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 51' ' ' LYS . 8.4 mt-30 -120.69 171.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.87 139.59 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 3.9 mt -108.14 145.82 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 36' ' ' LEU . 3.4 t -135.59 102.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.4 tt0 -84.12 94.48 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.43 159.25 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 60' ' ' ASN . 6.3 pt-20 -50.71 -38.33 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -137.49 176.28 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' A' ' 14' ' ' VAL . 12.9 tt -83.94 -23.76 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.65 -41.73 99.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -37.03 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.39 -50.75 68.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -56.21 -54.08 49.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 4.5 tt0 -42.19 -43.43 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 44.1 t -63.39 -54.03 43.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' ALA . 41.7 t -57.94 -70.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 8.9 t -38.24 -50.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 34.8 t80 -66.22 -38.21 87.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.46 3.19 25.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -110.1 -26.93 9.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.76 -34.3 7.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 70' ' ' PHE . 67.8 t -113.54 143.17 28.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 t -133.66 142.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 36.4 m-85 -130.23 140.49 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' A' ' 35' ' ' ALA . 28.7 mm -108.21 109.16 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 67.84 35.95 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.52 24.34 73.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.86 119.13 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.554 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -46.47 142.05 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.12 170.46 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -116.33 156.11 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CE1' HD21 ' A' ' 36' ' ' LEU . 95.5 m-85 -143.47 114.68 7.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.98 142.43 30.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 24.3 m-85 -45.47 152.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -117.81 148.06 42.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.8 p -88.48 41.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -116.53 -34.61 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 1.2 mmtt 68.85 -61.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -116.89 155.47 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 2.0 mt -111.23 145.71 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -80.21 128.35 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.645 ' HG3' ' N ' ' A' ' 96' ' ' PRO . 1.1 ttt180 -83.45 141.9 42.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.645 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.94 66.44 5.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.04 155.39 12.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -126.14 -56.64 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.3 78.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.91 86.33 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 161.84 37.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.6 124.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.5 m 56.8 166.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -130.59 121.43 25.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -48.02 -58.44 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.12 -166.57 35.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -83.73 151.61 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.06 169.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.78 114.77 4.32 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -117.24 111.32 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 108.59 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -131.06 156.94 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 139.14 37.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.91 148.99 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -80.0 163.48 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.668 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 10.1 t -42.82 161.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.461 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -154.9 132.87 6.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.96 -0.73 10.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 46.8 t -119.95 103.88 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -81.82 126.11 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 20.9 t-160 -83.16 108.02 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG12 ' CD2' ' A' ' 32' ' ' LEU . 5.2 t -86.54 135.81 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -140.22 172.88 12.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 44.77 63.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 83' ' ' ALA . 54.4 mt -85.83 168.48 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' CB ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -73.55 165.98 24.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 108.308 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.95 -42.19 98.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.83 80.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 24' ' ' CYS . 2.8 t -116.44 134.73 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.87 174.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' VAL . 24.7 tt0 -56.5 -58.21 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.48 -66.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 22.6 m-20 -39.04 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt -84.03 -46.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' GLU . 97.7 t -55.99 -52.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -13.69 14.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' CB ' HD11 ' A' ' 78' ' ' ILE . . . -105.9 -1.47 24.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 HD23 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -138.02 17.24 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.7 pp20? -96.83 -17.5 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' CE ' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.87 -26.18 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 33.3 m-85 -74.99 -59.03 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.06 -146.53 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -89.0 139.18 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.362 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.36 112.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -61.22 -70.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 43.0 t80 -139.15 168.96 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.598 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.9 t -143.03 116.83 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpp -96.39 138.48 33.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 120.16 37.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.1 mtm -116.31 106.77 48.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.16 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -122.38 45.01 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? 52.09 47.3 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 1.9 mt-30 -108.92 174.51 5.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.26 149.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 7.7 mt -109.36 144.29 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.1 t -129.85 100.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.68 95.92 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 35.7 m-85 -65.7 154.43 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.22 -41.68 62.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -134.19 143.18 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.668 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -54.52 -49.59 64.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-20 -38.39 -32.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -73.05 -56.44 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.94 -45.23 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -52.78 -57.74 9.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -43.72 -63.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 t -52.26 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -39.16 -66.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' CE ' ' A' ' 38' ' ' LYS . 46.5 t80 -52.13 -35.32 47.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.11 7.64 18.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -109.28 -28.98 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.15 -32.63 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 76.7 t -111.99 141.24 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.0 139.03 23.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.502 1.791 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -130.08 140.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -129.72 143.38 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.492 HD11 ' CB ' ' A' ' 35' ' ' ALA . 42.1 mm -106.34 96.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 75.91 17.24 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.22 -21.3 31.43 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.411 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -91.09 129.62 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.15 144.73 57.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' HD23 ' A' ' 23' ' ' LEU . . . -141.81 177.64 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.83 150.48 39.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CE1' HD23 ' A' ' 36' ' ' LEU . 82.3 m-85 -135.46 124.36 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -153.68 159.22 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.61 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -62.98 132.28 51.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -81.53 133.56 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.5 p -41.26 -39.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 135.85 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -61.6 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -102.92 155.26 18.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.7 mt -71.44 140.53 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -78.69 129.33 34.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -101.2 152.85 38.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.26 31.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.32 -167.1 24.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.412 1.07 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -145.75 149.46 34.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.9 p -137.32 167.5 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.3 165.18 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 77.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.485 1.781 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.6 p -40.74 113.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 158.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -157.09 107.85 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -174.7 164.91 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.36 -168.3 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -59.09 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.35 170.5 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.36 149.61 6.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -69.14 173.44 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -157.5 120.91 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 14.8 t-160 52.81 46.26 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.55 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -115.95 63.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.33 170.91 12.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 m -75.75 -174.6 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.572 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 15.6 t -63.47 159.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 14' ' ' VAL . 40.6 t -159.4 143.71 11.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.41 21.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.5 t -109.43 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 85' ' ' PHE . 1.1 t -81.64 118.9 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.613 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 4.3 t-160 -80.04 107.46 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.89 135.22 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -133.14 173.76 11.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.1 54.01 10.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -91.88 160.65 15.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.59 165.69 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -1.3 28.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 62.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 24' ' ' CYS . 3.2 t -109.99 132.54 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.28 164.03 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 17.4 tt0 -46.43 -60.89 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -36.78 -65.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -39.74 -51.02 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 78' ' ' ILE . 1.6 mt -67.69 -40.41 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 37' ' ' GLU . 94.3 t -56.52 -43.19 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.98 -8.62 56.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -107.2 -11.68 15.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' CE1' ' A' ' 85' ' ' PHE . 1.7 mt -115.64 -44.98 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -50.84 -25.2 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.91 -15.89 36.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.1 m-85 -93.5 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -157.55 -129.96 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 m -102.02 148.55 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.2 mt -113.86 117.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.63 -64.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CE1' ' NH1' ' A' ' 95' ' ' ARG . 68.3 t80 -148.41 161.64 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 73.1 t -135.59 125.53 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.433 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -108.16 143.8 36.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 46' ' ' MET . 1.6 mmt -110.27 110.11 20.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.522 ' CE ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -97.37 109.59 50.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -63.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -155.4 75.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 24' ' ' CYS . 5.0 mmp_? 43.28 43.06 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 7.1 tt0 -101.08 165.16 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.56 139.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 3.3 mt -110.97 139.1 46.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' CG1' HD11 ' A' ' 36' ' ' LEU . 54.5 t -123.08 101.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -87.46 94.76 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -67.29 164.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -57.01 -46.9 81.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.9 163.17 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 14' ' ' VAL . 17.9 tt -72.44 -38.98 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.17 -45.29 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -59.66 -54.85 41.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.78 -45.89 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -51.45 -52.39 46.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.4 tt0 -50.4 -54.05 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -50.1 -42.13 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 108.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG22 ' CE1' ' A' ' 87' ' ' TYR . 99.0 t -70.75 -72.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 66' ' ' GLU . 5.2 t -41.59 -37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CD1' HG11 ' A' ' 74' ' ' VAL . 16.1 t80 -67.19 -42.39 84.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.5 2.8 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.11 -30.11 8.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.61 -35.79 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.573 HG11 ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -126.24 137.6 30.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 126.14 9.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.803 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG22 ' CE2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -95.91 148.2 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.5 127.62 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 6.5 mm -104.34 105.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 64.73 38.09 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.11 31.2 57.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -143.55 116.91 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 17.4 tm0? -38.37 156.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . -152.31 159.24 43.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -121.27 128.64 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CE2' HG22 ' A' ' 76' ' ' VAL . 32.3 m-85 -115.41 116.78 28.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.77 138.96 34.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.9 m-85 -41.56 148.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' THR . 2.8 t -112.97 101.62 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.4 t -37.29 -34.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -42.14 -51.25 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 86.49 -50.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.14 143.97 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' A' ' 46' ' ' MET . 23.1 mt -83.13 142.1 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -82.18 130.95 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.516 ' NH1' ' CE1' ' A' ' 44' ' ' TYR . 29.8 mmt180 -93.05 156.9 39.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.59 154.08 41.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.44 115.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.0 p -146.8 145.63 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.62 -158.48 23.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 91.43 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.7 m -118.13 130.83 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 m -70.24 -59.11 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.67 146.79 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.17 135.58 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.24 121.95 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -123.79 127.38 48.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.68 122.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.99 77.14 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t 179.3 119.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -122.77 146.72 47.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.1 149.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -146.75 164.0 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 p -58.65 179.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.586 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 18.7 t -71.18 159.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.428 ' N ' HG11 ' A' ' 14' ' ' VAL . 12.9 t -156.31 143.19 13.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -14.4 21.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 14.9 t -106.58 110.16 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -84.82 126.68 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 23.8 t-160 -80.74 105.55 12.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.419 HG12 ' CD2' ' A' ' 23' ' ' LEU . 4.8 t -88.34 107.27 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.59 HH21 ' NE2' ' A' ' 53' ' ' GLN . 14.7 mtp180 -104.5 174.1 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.28 79.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 94.9 mt -118.76 179.81 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 158.84 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 2.1 tm-20 -62.6 -36.57 83.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -111.14 75.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -109.5 143.54 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.6 m -133.9 162.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 20.6 tt0 -41.69 -57.96 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -38.43 -64.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' ALA . 71.2 m-20 -39.83 -48.17 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.46 -55.48 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' GLU . 59.9 t -47.64 -52.48 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -34.99 65.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 78' ' ' ILE . . . -95.25 7.65 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 ' CZ ' ' A' ' 85' ' ' PHE . 6.0 mt -143.15 22.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 pp20? -106.81 -30.59 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -60.31 -24.36 64.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 30.4 m-85 -73.2 -65.03 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.77 -121.65 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -107.01 150.0 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -114.14 111.72 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -59.37 -73.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 50.9 t80 -135.81 171.78 13.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.3 t -145.33 141.75 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.421 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.9 ttm -124.95 144.27 50.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.454 ' CE ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -108.33 126.07 52.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.471 ' CE ' HD23 ' A' ' 55' ' ' LEU . 57.4 mtm -120.28 106.32 40.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.6 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.66 -68.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -135.14 48.49 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 1.5 mmt85 52.96 51.33 16.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.59 ' NE2' HH21 ' A' ' 21' ' ' ARG . 6.8 mt-30 -106.86 168.33 9.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -162.05 135.13 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 20.9 mt -106.96 147.15 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' CG2' HD13 ' A' ' 36' ' ' LEU . 4.0 t -137.96 105.82 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -86.43 98.18 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 39.6 m-85 -67.4 159.25 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.19 -49.48 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -124.91 169.15 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' HG11 ' A' ' 14' ' ' VAL . 18.7 tt -80.95 -16.36 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -70.46 -32.36 69.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 m -72.07 -54.35 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.73 -48.12 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HE3' ' CG2' ' A' ' 14' ' ' VAL . 13.0 mtpt -53.46 -53.03 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.6 tt0 -48.61 -44.49 37.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -61.31 -52.23 65.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 87' ' ' TYR . 99.1 t -54.02 -70.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 6.5 t -44.78 -49.91 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' ' HE3' ' A' ' 38' ' ' LYS . 60.8 t80 -52.06 -38.21 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.69 8.83 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.9 -32.2 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.86 -37.26 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -125.3 137.15 29.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.632 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.29 150.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.08 125.27 30.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 32' ' ' LEU . 3.4 mm -97.47 107.94 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.97 39.32 8.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.21 70.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -137.41 116.71 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.1 tt0 -37.81 140.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -138.89 157.89 45.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.87 130.71 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.632 ' CE2' ' CG2' ' A' ' 76' ' ' VAL . 20.9 m-85 -113.57 112.48 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 135.67 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE2' ' HA ' ' A' ' 14' ' ' VAL . 22.8 m-85 -43.44 141.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -90.96 155.78 18.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -55.17 -55.16 34.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.79 173.27 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -97.25 -61.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -101.75 155.55 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.1 mt -76.76 136.57 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 m -72.37 134.07 45.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -98.86 156.45 35.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 151.65 149.96 5.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.04 156.43 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -106.33 167.83 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.95 -178.88 17.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.48 3.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.59 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.73 107.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.6 81.16 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.14 152.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.67 -149.17 29.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -156.36 137.35 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.2 125.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.91 -155.66 27.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 t 48.57 96.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -121.6 -61.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -107.87 168.44 9.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -120.83 142.1 49.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 m -118.51 165.56 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -70.28 174.58 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.595 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 3.6 t -72.63 161.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.457 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 26.1 t -157.97 140.47 10.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.21 10.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.56 1.821 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.8 t -117.52 106.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -81.64 126.91 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 15.1 t-160 -80.64 106.03 12.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -87.37 118.67 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 1.5 mtt85 -123.37 162.74 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.13 55.25 28.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 70.7 mt -94.33 -173.23 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -175.11 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.87 -35.22 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 77.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.28 135.03 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -117.75 167.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 15.5 tt0 -52.22 -57.21 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.28 -62.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' ALA . 13.3 m-20 -39.68 -36.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.5 mt -83.13 -49.85 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' GLU . 92.3 t -51.12 -57.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -14.79 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.529 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.97 -0.63 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 56' ' ' VAL . 1.8 mt -138.77 17.83 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -97.88 -16.86 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.07 -20.45 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 29.9 m-85 -80.95 -60.35 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.14 -152.02 7.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 m -85.32 137.97 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 mt -101.76 114.37 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -64.67 -70.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 28.2 t80 -138.39 166.04 25.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 62.2 t -141.81 125.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.8 ttm -110.95 141.83 43.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.74 128.19 54.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -121.67 106.3 37.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.74 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.02 48.68 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.91 39.31 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -99.87 169.28 9.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . . . -165.19 150.69 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 16.0 mt -115.99 141.03 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HD12 ' A' ' 36' ' ' LEU . 65.6 t -128.31 98.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -80.92 94.87 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.1 m-85 -67.42 156.91 35.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.53 -49.85 66.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.33 154.1 34.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' CD1' HG13 ' A' ' 14' ' ' VAL . 17.3 tt -66.94 -17.76 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.16 -44.55 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -56.52 -58.12 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -43.5 -46.06 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 10.4 mtpt -67.08 -38.02 84.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' SER . 5.1 tt0 -64.6 -35.26 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.7 t -69.74 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' ' 65' ' ' LYS . 1.6 m -34.89 -70.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.562 ' CG2' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -39.43 -59.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CE1' ' HE3' ' A' ' 38' ' ' LYS . 72.6 t80 -52.05 -35.55 47.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -86.53 7.22 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -111.72 -28.07 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -29.28 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 75' ' ' PRO . 69.2 t -120.44 143.18 35.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.0 137.36 21.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.44 133.25 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -122.61 140.31 52.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.529 HD13 ' CB ' ' A' ' 35' ' ' ALA . 27.2 mm -107.42 96.23 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 84.06 14.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.95 -25.28 16.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 135.36 33.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.94 171.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.45 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -92.28 149.23 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' HB2' ' CB ' ' A' ' 71' ' ' ALA . 59.7 m-85 -132.46 122.37 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -155.2 160.62 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.6 m-85 -62.43 131.46 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -85.35 137.2 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 p -45.6 -45.68 13.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.54 166.79 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -106.54 -43.97 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -122.64 152.06 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 21.9 mt -85.75 144.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -105.79 131.88 52.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -45.17 153.07 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 70.58 5.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.411 1.743 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.33 160.19 33.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -142.8 139.77 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.99 139.17 21.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.957 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.04 103.21 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.5 16.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -68.96 159.55 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.6 t -118.9 -54.48 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.29 -58.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.946 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -87.73 144.54 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.9 -171.74 17.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m 63.39 151.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -109.23 150.49 27.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.98 174.49 40.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -143.53 144.44 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -130.93 120.22 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.588 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -105.96 -67.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -168.77 113.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.7 t -128.0 157.64 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 m -115.02 161.6 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.603 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 9.0 t -45.9 159.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 14' ' ' VAL . 41.8 t -153.45 141.77 14.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 92.3 t -114.69 104.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.45 122.0 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -80.46 109.27 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG11 ' CD2' ' A' ' 32' ' ' LEU . 6.9 t -86.96 124.87 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -122.48 167.69 13.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.41 56.4 22.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 59.4 mt -98.55 148.77 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' CB ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -53.89 153.83 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -50.37 47.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -107.91 80.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 24' ' ' CYS . 2.1 t -108.16 135.58 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.39 168.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HG3' ' CG1' ' A' ' 45' ' ' VAL . 23.7 tt0 -58.98 -54.39 47.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.17 -61.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -40.96 -29.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.8 mt -91.13 -45.45 8.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 ' O ' ' N ' ' A' ' 37' ' ' GLU . 47.8 t -55.32 -50.21 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.23 -7.16 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.77 -21.41 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD12 ' CG1' ' A' ' 56' ' ' VAL . 1.5 mt -104.43 -41.16 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.3 pp20? -47.6 -23.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.29 -25.43 67.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.61 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m-85 -82.51 -67.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.95 -128.8 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.2 m -103.69 147.12 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -112.73 121.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.5 t -70.52 -63.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 108.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 54.3 t80 -145.64 171.26 14.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 84.0 t -144.28 130.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 tpp -114.63 139.42 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.54 126.1 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.475 ' CE ' HD21 ' A' ' 55' ' ' LEU . 41.4 mtm -120.11 108.51 38.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -13.72 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.72 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.4 43.67 2.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.6 mmt-85 56.48 46.02 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -102.97 169.68 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -164.46 138.0 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.5 mt -103.96 138.96 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG1' HD12 ' A' ' 36' ' ' LEU . 49.2 t -125.34 97.08 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.1 tp10 -81.69 93.96 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.0 m-85 -66.85 161.18 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.24 -42.94 82.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.55 154.32 47.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CD1' HG13 ' A' ' 14' ' ' VAL . 13.6 tt -64.69 -25.53 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m -60.47 -56.17 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.93 -41.2 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -69.85 -37.07 76.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' SER . 3.7 tp10 -62.62 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.61 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 49.5 t -68.77 -69.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' HA ' ' A' ' 65' ' ' LYS . 1.2 m -34.81 -71.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.571 ' CG2' ' O ' ' A' ' 65' ' ' LYS . 1.3 t -37.68 -59.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.564 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 36.8 t80 -51.19 -37.72 48.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.84 8.8 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.23 -30.96 7.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -35.7 9.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.5 p -127.64 139.94 36.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.54 20.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -116.59 143.99 25.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -121.14 142.67 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 16.9 mm -116.62 96.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 78' ' ' ILE . . . 83.94 26.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.11 -3.87 82.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -111.64 127.09 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -45.29 164.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 159.53 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.04 161.62 18.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CE1' HD22 ' A' ' 36' ' ' LEU . 80.3 m-85 -145.21 112.84 6.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -141.54 133.87 28.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 21.4 m-85 -40.36 136.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -89.52 144.83 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.2 p -79.95 -11.33 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.4 p -73.57 -41.75 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER 83.15 -52.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -124.8 147.73 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 8.2 mt -84.34 134.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.5 m -71.35 131.01 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -95.59 155.94 38.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.99 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -55.57 162.3 5.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.65 135.02 37.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.1 t -167.66 145.79 4.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.85 86.57 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.77 17.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.01 136.92 54.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.53 -58.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.11 160.87 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.25 -57.23 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.85 -103.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -127.23 152.54 47.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -61.75 146.45 49.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 125.63 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.18 136.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.05 127.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.83 111.3 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.564 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.39 153.98 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 m -138.01 172.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.2 p -58.39 164.38 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.579 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 39.9 t -56.2 158.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -162.19 142.84 7.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 61.5 t -113.6 104.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -82.16 126.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 19.7 t-160 -81.51 106.87 13.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 32' ' ' LEU . 4.0 t -86.65 137.27 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -146.13 159.92 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.1 67.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.45 153.17 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 160.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 108.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.84 99.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.5 81.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG13 ' OD1' ' A' ' 31' ' ' ASP . 2.3 t -116.4 159.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' N ' ' OD2' ' A' ' 31' ' ' ASP . 24.1 m -130.92 -165.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 26.1 tt0 -80.0 -57.87 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -35.77 -66.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.703 ' OD2' ' N ' ' A' ' 28' ' ' VAL . 1.8 p30 -36.01 -48.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 20' ' ' VAL . 3.0 mt -70.87 -48.54 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.0 t -49.78 -66.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -13.13 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -97.37 -2.7 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 85' ' ' PHE . 3.0 mt -129.35 -37.79 1.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -45.64 -29.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -58.78 -28.85 66.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 33.0 m-85 -79.41 -69.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.33 -145.36 4.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -92.41 147.69 22.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.2 mt -111.46 132.47 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -64.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 59.3 t80 -140.09 170.42 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 59.8 t -141.1 114.06 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.486 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -96.01 133.91 39.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 111.05 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.88 123.81 47.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.6 mtm -123.82 107.32 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 -12.5 21.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.7 -57.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.98 41.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 56.75 42.32 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 4.3 mt-30 -103.16 177.92 4.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.23 143.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.7 mt -104.67 139.0 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 36' ' ' LEU . 49.0 t -123.27 96.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -78.15 95.38 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 30.6 m-85 -68.14 158.19 33.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.05 -49.84 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.24 161.93 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 14' ' ' VAL . 17.3 tt -71.07 -36.4 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.81 -42.33 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ALA . 2.7 m -62.83 -60.61 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.67 -52.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' O ' ' OG1' ' A' ' 69' ' ' THR . 22.2 mtpt -42.74 -67.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -46.15 68.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.614 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 28.4 m -48.27 -49.05 34.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' ALA . 8.9 t -70.05 -67.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -39.29 -62.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 16.1 t80 -51.82 -32.51 31.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.76 8.41 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -113.47 -34.91 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -35.8 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 70' ' ' PHE . 1.6 p -126.3 139.93 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.52 31.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.1 139.01 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.47 143.34 45.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.2 mm -106.6 105.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 75.43 6.66 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.09 -25.11 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.75 131.42 36.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.75 163.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.1 172.57 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.15 151.3 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 36' ' ' LEU . 94.6 m-85 -136.79 124.93 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.71 138.3 20.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.1 m-85 -40.68 138.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 40.6 t -80.38 153.03 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.4 p -54.55 -54.09 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 173.92 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.5 mmtm -87.13 -72.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -94.56 155.25 16.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.486 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 55.0 mt -71.22 141.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.0 m -71.92 128.81 36.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -95.46 154.09 39.4 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 97.13 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.7 175.61 0.64 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -150.97 125.32 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.787 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 p -85.2 142.68 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.54 170.24 23.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.72 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.7 p -158.12 166.19 33.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 63.1 137.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.18 165.55 11.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -59.75 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.4 142.49 9.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 p -68.38 151.83 46.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.034 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.12 156.69 19.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.35 134.84 3.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -119.12 -65.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 80.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -91.9 -68.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.14 62.21 2.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -127.77 140.99 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m -106.91 168.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.614 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 7.8 t -48.87 159.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 14' ' ' VAL . 3.5 t -159.61 142.02 9.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 44.5 t -117.29 102.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -81.4 123.08 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.6 107.81 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.17 128.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -127.4 163.26 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 62.61 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.75 161.34 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 167.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -14.32 61.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -140.15 74.26 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.91 145.35 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -120.27 169.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 37.2 tt0 -59.97 -55.27 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.19 -61.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -41.56 -29.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 78' ' ' ILE . 1.3 mt -92.36 -42.95 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' GLU . 47.3 t -53.76 -53.11 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.99 -6.63 29.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -105.23 -14.09 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 42' ' ' ILE . 2.0 mt -114.14 -40.32 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 pp20? -47.67 -26.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -58.92 -20.54 52.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 54.5 m-85 -88.6 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.16 -135.44 1.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 m -98.97 140.95 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -104.75 116.04 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.07 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 53.9 t80 -151.8 163.21 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 97.9 t -136.31 131.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.476 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 1.1 ttp -118.1 141.36 48.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.7 129.72 53.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -114.47 111.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -74.99 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 49.1 m-85 -151.26 127.92 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt 44.6 30.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 45.93 94.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.98 169.85 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 140.2 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.2 mt -105.43 136.81 44.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' CG1' HD13 ' A' ' 36' ' ' LEU . 51.4 t -124.31 96.56 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -81.22 94.47 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 29.4 m-85 -67.46 157.84 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.09 -48.86 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.33 162.1 22.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CD1' HG13 ' A' ' 14' ' ' VAL . 15.7 tt -69.6 -25.06 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.12 -53.79 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m -46.39 -56.04 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' O ' ' CG2' ' A' ' 68' ' ' VAL . . . -47.16 -44.98 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER -70.24 -37.48 74.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.612 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -68.23 -64.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.632 ' CG2' ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -39.37 -72.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.556 ' CG2' ' O ' ' A' ' 65' ' ' LYS . 1.5 t -37.5 -58.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.448 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 66.9 t80 -50.91 -39.79 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.82 8.67 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.48 -27.95 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -31.82 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 70' ' ' PHE . 75.9 t -116.86 140.61 27.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 133.47 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.47 133.85 67.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -122.07 135.63 54.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 14.7 mm -108.27 116.45 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 73.94 6.44 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.83 -22.58 18.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -93.29 145.25 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.21 161.12 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.91 165.37 15.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -149.24 112.9 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.13 136.42 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 22.8 m-85 -41.2 143.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -106.1 150.52 25.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.7 p -94.07 31.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -110.62 -26.72 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 2.7 mmtt 67.8 -67.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mtt180 -111.44 155.39 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 11.6 mt -94.12 133.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.1 m -62.01 135.15 57.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -94.54 154.17 40.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -53.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 60.25 -164.26 15.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t30 177.77 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -128.42 123.17 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.31 89.89 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.04 22.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.12 126.96 52.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 p -72.33 -60.55 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.713 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 24.5 t -52.59 159.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 33.9 t -158.12 144.49 12.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.0 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.9 t -119.53 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 68' ' ' VAL . 2.2 t -83.15 123.08 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.08 107.82 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.634 HG11 HD21 ' A' ' 32' ' ' LEU . 5.7 t -86.89 126.05 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -133.44 156.67 47.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.48 49.23 26.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 78' ' ' ILE . 81.6 mt -96.39 172.57 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.5 165.59 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -31.57 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.9 m -118.82 77.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.46 142.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -119.18 178.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.2 tt0 -67.12 -46.68 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -49.99 -61.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -40.56 -40.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -79.47 -41.75 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.5 t -56.67 -47.88 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.46 -7.14 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.513 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.47 -23.65 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -103.07 -45.22 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.6 pp20? -45.14 -29.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -54.33 -24.75 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 58.1 m-85 -83.93 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.75 -130.72 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -100.39 147.41 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.9 mt -112.58 118.88 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -68.34 -61.86 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 41.5 t80 -148.75 168.13 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.557 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 70.7 t -143.44 135.47 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 55' ' ' LEU . 3.1 ttm -118.76 141.43 48.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.96 132.75 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' ' HG ' ' A' ' 55' ' ' LEU . 2.9 mpp? -124.25 106.8 30.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -133.52 59.33 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.2 OUTLIER 42.16 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.8 mt-30 -128.24 171.23 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.55 146.45 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 46' ' ' MET . 12.4 mt -107.35 145.42 32.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 63.1 t -131.3 99.86 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.62 95.04 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 24.8 m-85 -68.27 160.29 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.48 -50.76 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.2 163.52 26.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -64.76 -27.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -55.65 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -53.4 -55.02 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.39 -51.17 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.3 mtpt -55.71 -56.05 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -41.27 -44.78 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 48.6 t -62.06 -55.74 25.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 36.8 t -54.62 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -39.92 -53.89 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' HG23 ' A' ' 69' ' ' THR . 16.6 t80 -61.76 -34.63 76.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -82.48 5.88 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.71 -33.07 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -33.09 16.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -132.84 139.19 33.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.03 148.74 35.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.81 146.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 28.5 m-85 -123.14 138.36 54.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 23' ' ' LEU . 17.8 mm -102.26 120.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 54.94 36.07 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.31 29.06 62.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.14 120.67 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.8 tp60 -44.92 142.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.11 174.71 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -132.31 138.7 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.655 ' HE1' HD21 ' A' ' 36' ' ' LEU . 96.8 m-85 -122.93 115.42 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.74 140.45 33.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.713 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 20.1 m-85 -45.28 127.98 7.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -71.31 160.42 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.2 p -64.81 -55.1 21.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.31 170.93 14.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.3 mmtt -95.94 -41.51 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -122.15 152.25 40.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' MET . 59.9 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 65' ' ' LYS . 43.3 t -72.59 155.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -152.71 141.37 14.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.6 t -118.97 106.25 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG13 HG22 ' A' ' 68' ' ' VAL . 2.0 t -82.91 122.04 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -81.76 108.03 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 32' ' ' LEU . 5.6 t -86.46 126.71 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -129.44 152.51 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.65 63.39 2.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' C ' ' NE2' ' A' ' 81' ' ' GLN . 98.6 mt -110.94 159.9 17.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.0 t -62.2 168.4 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.0 -0.24 23.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 62.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 24' ' ' CYS . 1.9 t -104.3 137.13 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' LEU . 13.1 m -110.96 -178.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.1 tt0 -68.61 -55.47 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.53 -63.41 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.6 -31.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -88.84 -42.87 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.4 t -54.05 -52.76 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.42 -7.17 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.621 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -104.18 -13.31 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.754 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -115.11 -38.94 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -48.8 -28.57 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.25 -21.92 26.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 47.9 m-85 -87.25 -61.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.21 -134.6 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.8 m -97.46 147.24 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.5 mt -112.24 116.14 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.0 -62.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.351 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 44.6 t80 -150.82 165.66 32.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG11 ' HG3' ' A' ' 29' ' ' GLU . 92.7 t -140.28 124.3 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.531 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.3 ttp -104.62 139.01 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.36 109.19 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.39 111.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 55.71 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.555 1.818 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 38.6 m-85 -152.24 128.79 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 50.88 22.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? 48.67 82.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 53' ' ' GLN . 2.2 mt-30 -134.43 175.12 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.97 139.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.0 mt -101.26 142.45 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.531 HG11 HD13 ' A' ' 36' ' ' LEU . 62.4 t -128.11 98.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -85.7 94.86 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 28.8 m-85 -66.94 165.04 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.21 -52.7 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.35 167.2 12.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 HG12 ' A' ' 14' ' ' VAL . 15.2 tt -77.09 -17.06 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.78 -38.06 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -66.56 -53.85 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -41.68 -49.87 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 14' ' ' VAL . 16.5 mtpt -55.53 -56.7 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -41.58 -45.3 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 47.9 t -61.87 -52.69 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 87' ' ' TYR . 47.4 t -57.5 -71.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 70' ' ' PHE . 10.2 t -39.0 -53.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.512 ' N ' HG23 ' A' ' 69' ' ' THR . 52.4 t80 -62.6 -37.74 87.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -82.25 4.4 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -108.16 -29.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.84 -33.06 7.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 75' ' ' PRO . 56.0 t -114.17 138.91 23.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.0 139.59 24.46 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.6 138.85 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -122.44 137.87 54.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.9 mm -113.3 109.27 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.53 37.85 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.03 24.97 74.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 23' ' ' LEU . 3.9 tt0 -137.93 121.23 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.45 159.11 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.6 168.27 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -115.34 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.6 m-85 -120.16 120.99 37.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -143.09 166.52 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.4 m-85 -70.33 141.79 52.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -103.89 130.17 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.6 p -76.68 57.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -133.49 -45.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 90' ' ' SER . 5.6 tptt 84.58 -54.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 144.37 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 46' ' ' MET . 12.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 24.5 t -47.1 159.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 45.5 t -158.84 143.05 11.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.97 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.3 t -119.11 108.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 68' ' ' VAL . 1.7 t -82.46 122.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 15.3 t-160 -80.3 104.53 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 3.4 t -86.59 117.86 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 135.01 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.1 36.44 4.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.19 -132.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.48 -171.09 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -37.99 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 46.8 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.12 135.59 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.94 172.71 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.8 tt0 -54.77 -58.72 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.57 -65.08 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.9 m-20 -39.11 -33.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 78' ' ' ILE . 3.1 mt -86.34 -45.59 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 37' ' ' GLU . 65.6 t -54.93 -48.69 74.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -7.72 23.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.23 -25.51 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD1' HG21 ' A' ' 56' ' ' VAL . 1.3 mt -100.09 -46.03 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 33' ' ' VAL . 16.3 pt-20 -41.33 -37.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -43.83 -28.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 46.4 m-85 -80.85 -67.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -135.88 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 152.65 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 37' ' ' GLU . 6.2 mt -119.95 113.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t -62.63 -63.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.07 169.4 18.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 ' HG3' ' A' ' 29' ' ' GLU . 77.2 t -144.63 121.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -105.82 140.95 38.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.71 122.47 46.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.732 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.1 mtm -119.95 106.23 41.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.803 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.3 t80 75.36 -62.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.8 mttt -109.64 24.49 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 37.94 78.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 11.4 mt-30 -132.21 -179.8 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.13 138.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.732 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -100.9 146.78 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 36' ' ' LEU . 66.6 t -132.47 100.8 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -87.58 94.77 9.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 31.8 m-85 -68.64 163.17 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -48.21 -53.14 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.67 166.08 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 19.3 tt -69.31 -24.01 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.61 -49.67 75.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -52.77 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.07 -49.62 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -56.53 -53.15 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.1 tp10 -43.2 -43.42 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 51.6 t -62.98 -58.38 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 18' ' ' VAL . 85.6 t -52.95 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 70' ' ' PHE . 13.3 t -39.04 -53.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 69' ' ' THR . 39.4 t80 -62.18 -35.61 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -78.71 2.8 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.17 -31.05 7.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -31.17 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -134.88 139.96 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.05 149.55 36.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.08 149.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -127.95 142.55 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 36.4 mm -108.02 119.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.64 14.29 9.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.11 -16.64 49.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 17.1 mm100 -88.2 159.31 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.8 tp60 -80.7 138.6 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.53 167.97 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -120.68 169.6 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.581 ' HE1' HD21 ' A' ' 36' ' ' LEU . 87.7 m-85 -149.1 117.49 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -147.88 140.1 24.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.0 m-85 -41.24 145.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.5 t -96.93 135.74 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.3 p -43.68 -41.42 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.22 170.49 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.8 tptt -106.11 -48.88 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 3.2 ttt180 -120.66 142.36 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.0 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 38.8 t -44.26 158.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 41.4 t -161.58 140.76 7.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.622 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -5.81 17.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.9 t -113.24 106.21 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 68' ' ' VAL . 1.9 t -85.82 122.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -80.55 108.68 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.552 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 6.6 t -86.58 132.67 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -131.15 172.61 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.29 61.24 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.89 -177.28 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.81 -173.54 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -42.46 15.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -113.63 73.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG21 ' H ' ' A' ' 24' ' ' CYS . 3.9 t -106.06 133.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.1 m -116.98 176.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG3' HG11 ' A' ' 45' ' ' VAL . 14.4 tt0 -57.45 -59.53 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.1 -62.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 15.3 m-20 -39.63 -37.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -83.13 -51.12 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 42' ' ' ILE . 69.7 t -49.22 -57.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -14.55 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.617 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -0.68 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.806 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.9 mt -139.8 18.82 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -98.14 -17.82 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -23.94 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 46.8 m-85 -77.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.93 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 m -87.54 136.62 32.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.7 mt -99.13 112.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -58.96 -71.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -137.75 170.35 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.5 t -144.06 113.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.455 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -99.72 137.63 37.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.75 110.6 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.603 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.3 mtm -100.7 108.05 51.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -146.26 130.0 17.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp 43.95 30.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 47.02 84.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.9 mt-30 -142.88 173.38 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 156.21 6.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt -116.06 137.78 51.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 36' ' ' LEU . 38.1 t -124.54 96.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -81.23 95.16 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 22.8 m-85 -66.15 156.16 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -52.43 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.22 171.9 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 16.5 tt -81.27 -36.23 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -51.3 -29.24 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -73.8 -59.7 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.9 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -42.08 -59.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 69' ' ' THR . 1.6 tp10 -61.35 -45.13 95.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -52.55 -39.79 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.534 HG21 ' CE1' ' A' ' 87' ' ' TYR . 74.2 t -76.12 -71.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -38.08 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD1' HG13 ' A' ' 74' ' ' VAL . 17.8 t80 -68.42 -46.74 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -66.1 -9.1 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.3 -39.97 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.36 40.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.604 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.0 p -143.56 140.08 17.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.87 153.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.466 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.4 m-85 -132.75 137.69 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.617 HD13 ' CB ' ' A' ' 35' ' ' ALA . 16.8 mm -106.0 107.72 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 71.82 26.63 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.55 -3.86 85.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -107.79 122.98 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.466 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 6.9 tm0? -47.9 165.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.39 160.82 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 15.8 m-85 -112.14 146.69 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 86.1 m-85 -131.49 118.05 19.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.12 149.89 35.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.0 m-85 -49.43 148.16 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' SER . 5.4 m -112.66 102.56 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.33 -31.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 1.2 m -43.38 -52.41 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' SER . 14.5 tptt 85.39 -49.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.74 148.28 46.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 46' ' ' MET . 14.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.754 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.3 t -43.5 161.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.44 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 14.7 t -154.68 143.9 15.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 91' ' ' LYS . 48.6 t -108.39 111.13 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -85.94 128.44 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.81 106.54 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 23' ' ' LEU . 3.5 t -86.38 126.25 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -130.33 165.32 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.27 54.91 33.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 20' ' ' VAL . 42.5 mt -97.37 160.21 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -62.09 172.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 108.32 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.49 -46.88 62.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.51 80.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.6 t -114.62 146.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.569 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.5 m -125.01 -174.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HG3' HG11 ' A' ' 45' ' ' VAL . 19.3 tt0 -69.59 -60.92 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -38.9 -65.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.57 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 12.3 m-20 -37.9 -40.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.3 mt -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.6 t -51.03 -48.95 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -16.29 27.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.05 -0.04 25.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.842 HD21 ' CZ ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -137.57 17.55 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.8 pp20? -100.15 -18.22 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -22.95 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 27.9 m-85 -76.92 -64.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.49 -135.96 1.97 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -95.94 143.77 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -107.72 113.04 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.0 t -62.76 -71.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -135.94 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 29' ' ' GLU . 61.2 t -144.85 111.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HE1' HG23 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -96.01 138.26 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 132.86 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.521 ' HE1' ' N ' ' A' ' 54' ' ' ALA . 1.8 mpp? -123.96 106.96 31.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -9.97 21.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -45.88 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -132.69 45.13 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? 54.05 43.17 31.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 18.4 mt-30 -104.01 170.98 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.521 ' N ' ' HE1' ' A' ' 48' ' ' MET . . . -169.86 146.86 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.9 mt -106.73 147.5 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 36' ' ' LEU . 55.2 t -132.06 100.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.2 tp10 -84.67 95.8 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 25.2 m-85 -68.22 163.11 23.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.5 -45.23 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 166.78 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 19.2 tt -75.37 -12.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -74.14 -25.92 60.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.3 m -80.07 -56.76 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.14 -43.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -59.79 -61.41 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -39.05 -45.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 23.8 t -57.28 -60.01 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 64' ' ' ALA . 14.0 t -48.37 -71.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 5.7 t -42.04 -54.04 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.612 ' O ' HG13 ' A' ' 74' ' ' VAL . 13.9 t80 -53.85 -40.33 66.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -79.14 6.52 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -105.49 -32.01 8.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -34.76 11.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -127.29 135.04 26.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.91 8.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.107 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.39 150.18 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.94 128.98 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 32' ' ' LEU . 25.8 mm -97.73 107.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 59.42 36.18 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.84 39.34 20.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 116.09 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.5 tt0 -43.63 143.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -140.05 156.8 46.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -114.1 129.18 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 1.107 ' CE2' HG21 ' A' ' 76' ' ' VAL . 19.0 m-85 -114.72 113.57 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 58.0 m-80 -134.74 164.38 27.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.754 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.2 m-85 -72.1 125.98 28.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -83.77 115.5 22.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.9 p -53.46 -21.97 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -63.97 -25.66 68.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.7 mmtm 69.52 -62.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 22.9 mmt85 -113.54 153.85 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 46' ' ' MET . 20.0 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 ' HD3' ' A' ' 65' ' ' LYS . 2.8 t -53.04 164.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 43.4 t -161.09 135.66 5.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.3 Cg_endo -74.98 -7.01 18.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' LYS . 57.2 t -113.77 103.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -81.95 123.15 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 15.0 t-160 -80.55 106.74 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 32' ' ' LEU . 2.9 t -86.54 118.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 19' ' ' HIS . 2.1 mtt180 -119.19 169.77 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.02 68.61 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -86.75 174.69 8.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -9.14 59.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.53 71.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -108.84 150.68 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 31' ' ' ASP . 28.4 m -127.76 178.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.4 tt0 -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.98 -63.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' H ' HG23 ' A' ' 28' ' ' VAL . 34.6 m-20 -40.17 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD21 HG11 ' A' ' 20' ' ' VAL . 2.7 mt -90.78 -43.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 29' ' ' GLU . 52.5 t -53.91 -50.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.51 -7.94 29.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.28 -11.5 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.4 mt -114.89 -37.15 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -49.45 -23.76 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -14.82 52.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 49.9 m-85 -96.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.71 -151.1 6.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -82.39 147.12 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.1 mt -110.99 115.04 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -66.15 -58.36 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -151.43 166.53 30.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 HG11 ' HG3' ' A' ' 29' ' ' GLU . 72.8 t -142.76 124.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.624 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -108.58 141.85 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.45 132.28 54.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.3 mtm -124.14 106.54 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 -17.01 19.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.29 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.18 54.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.17 74.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.0 mt-30 -139.07 170.26 16.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.94 145.19 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.9 mt -106.47 145.93 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 36' ' ' LEU . 56.0 t -130.87 100.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -85.94 94.52 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.605 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m-85 -67.35 155.03 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.27 -54.93 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -120.8 165.85 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.831 HD11 HG12 ' A' ' 14' ' ' VAL . 21.3 tt -73.83 -35.57 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -48.44 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 3.3 m -52.39 -61.32 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . . . -41.32 -56.4 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HD3' HG21 ' A' ' 14' ' ' VAL . 20.0 mtmt -39.76 -57.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.762 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -61.91 -43.6 98.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.605 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.2 m -55.04 -38.89 68.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 87' ' ' TYR . 99.5 t -76.55 -69.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.762 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -40.19 -37.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 11.9 t80 -70.76 -40.83 72.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.64 0.39 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.59 -31.52 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -29.3 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -136.89 138.78 26.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 151.98 40.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.22 149.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.7 m-85 -126.37 136.72 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.606 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -105.56 114.7 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.12 35.72 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.97 19.81 79.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.86 121.78 28.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.4 tp60 -48.13 143.74 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.32 176.98 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -131.42 145.51 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.675 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.9 m-85 -132.41 115.41 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -146.72 142.25 27.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.703 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -42.96 135.81 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -85.82 157.88 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.7 p -61.49 -49.34 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -74.37 176.41 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -105.23 -45.29 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 2.7 ptt85 -124.08 149.46 46.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.624 HG21 ' HB2' ' A' ' 46' ' ' MET . 58.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.4 t -59.94 161.45 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 28.8 t -157.93 144.5 12.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.08 17.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 53.3 t -113.57 104.29 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.8 t -82.19 122.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.58 108.11 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.682 HG11 HD21 ' A' ' 32' ' ' LEU . 3.7 t -86.1 130.53 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -133.73 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.53 68.35 0.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -106.31 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.13 -174.85 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 -34.49 22.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 76.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' CB ' ' A' ' 24' ' ' CYS . 19.5 t -108.79 144.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -127.89 161.69 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.6 tt0 -43.82 -56.81 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -43.04 -63.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -42.17 -29.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.682 HD21 HG11 ' A' ' 20' ' ' VAL . 1.5 mt -90.98 -40.67 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 37' ' ' GLU . 89.6 t -55.82 -45.17 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -7.76 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.76 -15.33 14.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -114.15 -48.52 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.65 -30.02 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -55.81 -18.4 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.2 m-85 -91.45 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.5 -134.43 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m -100.39 146.67 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.802 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.6 mt -112.76 120.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.1 t -68.91 -63.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 56.9 t80 -145.66 166.98 24.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 76.4 t -141.85 128.24 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -114.56 133.58 55.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.2 135.88 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -123.67 106.29 32.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.04 9.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -53.41 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.58 56.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.23 74.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 36.2 mt-30 -142.64 173.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -173.6 147.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.3 mt -104.58 142.5 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 36' ' ' LEU . 61.9 t -126.95 97.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -82.97 94.95 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.2 m-85 -67.97 158.36 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.22 -36.75 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -135.84 154.61 51.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 HG12 ' A' ' 14' ' ' VAL . 16.4 tt -64.5 -35.52 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -52.95 -42.35 65.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.489 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 16.9 m -61.98 -53.74 51.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -45.55 -44.06 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 14' ' ' VAL . 27.9 mtpt -58.33 -60.86 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 7.1 tt0 -39.22 -44.6 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 85' ' ' PHE . 36.3 t -59.42 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' CE1' ' A' ' 87' ' ' TYR . 21.0 t -51.09 -71.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 7.6 t -40.74 -52.05 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 74' ' ' VAL . 17.1 t80 -54.37 -37.75 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -76.08 2.55 12.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -106.82 -30.05 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -35.53 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -127.81 134.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.067 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -91.75 145.82 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -134.68 125.88 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 21.1 mm -93.52 97.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.76 9.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.08 -22.53 12.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -85.39 132.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 2.0 tp60 -49.65 142.01 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -134.85 163.07 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 3.4 m-85 -128.77 131.88 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 1.067 ' CE2' HG21 ' A' ' 76' ' ' VAL . 30.0 m-85 -120.08 121.0 37.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.34 163.14 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.892 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.2 m-85 -69.23 144.82 53.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 t -118.62 128.69 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.6 p -74.89 56.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -43.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 12.5 mmtm 72.03 -60.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 7.0 ttt180 -105.1 144.61 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 24.5 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.711 HG12 HD11 ' A' ' 61' ' ' ILE . 24.1 t -58.79 158.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 t -157.3 142.6 12.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.96 -13.17 21.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 91' ' ' LYS . 54.5 t -109.05 105.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.37 124.91 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -81.96 110.53 17.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 32' ' ' LEU . 6.0 t -86.63 127.92 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -124.69 172.33 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.52 71.25 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -107.11 173.65 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -80.42 -174.84 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -41.61 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.22 69.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -103.2 136.99 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 31' ' ' ASP . 34.3 m -121.58 163.4 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' HG23 ' A' ' 33' ' ' VAL . 26.4 tt0 -49.57 -57.52 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.77 -63.01 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 28' ' ' VAL . 17.4 m-20 -40.17 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -90.17 -42.87 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 29' ' ' GLU . 40.1 t -54.22 -54.16 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.12 -7.21 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.643 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -103.63 -13.58 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.2 mt -115.93 -40.38 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.1 pp20? -44.2 -33.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' CE ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.18 -27.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 34.5 m-85 -82.62 -65.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.42 -140.09 2.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -91.52 152.39 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -118.08 113.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -62.48 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 51.7 t80 -146.53 171.04 15.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.3 t -145.23 122.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -104.98 138.92 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.88 121.96 45.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.667 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.2 mtm -121.12 106.41 38.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.07 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.1 t80 72.18 -60.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -106.34 20.68 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.0 60.15 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.79 174.25 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.54 140.38 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.7 mt -101.49 144.6 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 36' ' ' LEU . 55.1 t -130.04 99.75 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -84.98 94.76 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.32 161.69 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -51.72 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.38 172.55 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.711 HD11 HG12 ' A' ' 14' ' ' VAL . 19.8 tt -82.17 -9.76 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.95 -41.45 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -52.99 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.59 -49.68 2.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -52.62 -52.7 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -47.26 -50.68 20.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.8 t -49.78 -54.24 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.4 t -58.72 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -40.14 -62.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 30.8 t80 -52.58 -33.02 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.26 9.2 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -112.76 -31.63 6.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -36.33 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.2 p -127.32 138.72 33.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 147.41 33.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.5 138.62 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 25.7 m-85 -120.25 146.83 45.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.0 mm -111.09 118.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.17 34.49 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.89 35.55 49.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.39 123.38 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -50.07 143.92 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.4 174.74 10.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 52.9 m-85 -128.75 144.69 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 91.1 m-85 -129.43 112.2 13.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -140.74 136.39 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.724 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.3 m-85 -44.01 130.93 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -73.04 158.38 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -65.06 -40.15 94.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.78 169.01 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.5 mmtt -87.48 -71.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 11.0 mtm105 -101.22 155.04 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 46' ' ' MET . 56.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.589 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 38.0 t -50.38 159.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.2 t -158.05 143.9 12.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.2 t -114.72 106.28 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 68' ' ' VAL . 1.6 t -81.71 121.66 35.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 21.2 t-160 -80.41 104.64 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD21 ' A' ' 32' ' ' LEU . 3.2 t -86.66 118.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 138.12 49.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.78 38.88 4.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.59 -133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.68 -172.74 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.5 -23.99 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.67 65.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.96 147.41 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 167.68 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.582 ' HG2' HG23 ' A' ' 33' ' ' VAL . 30.3 tt0 -54.45 -56.11 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.12 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 69.5 m-20 -38.38 -32.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.9 mt -86.19 -47.95 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' HG2' ' A' ' 29' ' ' GLU . 73.7 t -53.85 -47.53 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -66.93 -8.19 27.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -29.13 10.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.696 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.1 mt -93.7 -44.96 7.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 20.4 pt-20 -44.07 -34.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -49.06 -25.48 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 50.4 m-85 -81.9 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.92 -126.59 0.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -104.97 146.33 29.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 37' ' ' GLU . 5.8 mt -111.47 125.41 68.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.1 -63.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 31.8 t80 -146.27 166.34 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.612 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.0 t -142.32 132.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.575 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.9 ttm -114.54 141.99 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.95 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.6 mtm -122.03 109.07 33.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.11 19.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -40.07 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -141.17 59.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.66 76.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 23' ' ' LEU . 10.0 mt-30 -139.11 -179.87 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.17 138.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD12 ' SD ' ' A' ' 46' ' ' MET . 11.0 mt -100.9 146.16 27.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 36' ' ' LEU . 71.8 t -133.23 102.41 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -88.57 94.61 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -67.87 158.17 33.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.4 tm-20 -42.38 -55.38 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.49 172.29 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 14' ' ' VAL . 21.0 tt -78.1 -16.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.89 -55.48 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -56.85 -44.29 81.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -46.89 -47.99 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -54.68 -56.64 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -43.29 -53.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 38.3 t -46.73 -60.66 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 18' ' ' VAL . 4.4 t -55.04 -71.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -38.36 -64.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 47.6 t80 -51.69 -39.24 57.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -81.82 4.64 21.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -107.02 -28.18 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -28.57 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 75' ' ' PRO . 79.4 t -118.58 141.49 29.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 141.34 26.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 t -132.71 131.65 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 35.6 m-85 -119.36 140.75 49.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.7 mm -111.45 115.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.83 33.3 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.0 10.03 86.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.12 122.48 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.7 tt0 -51.49 142.16 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.9 171.65 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -126.31 148.88 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.1 m-85 -131.62 125.45 32.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' HA ' HG13 ' A' ' 68' ' ' VAL . 8.6 m-80 -154.0 142.89 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.589 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.7 m-85 -45.08 138.74 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -84.45 162.71 19.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.1 p -64.35 -49.06 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.96 171.36 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.3 mmtm -95.06 -58.71 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 155.38 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.642 HG12 HD11 ' A' ' 61' ' ' ILE . 32.7 t -60.51 158.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 39.9 t -160.24 140.67 8.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 38.7 t -110.91 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG21 ' HE2' ' A' ' 58' ' ' PHE . 1.8 t -81.74 125.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.539 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 23.7 t-160 -80.52 104.94 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.559 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 32' ' ' LEU . 3.9 t -86.41 118.38 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -124.86 166.11 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 66.59 2.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.9 -176.73 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 179.37 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -85.22 -5.24 59.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 t -144.33 64.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.54 136.53 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.16 158.33 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.729 ' CG ' HG11 ' A' ' 45' ' ' VAL . 13.7 tt0 -47.21 -50.65 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -38.95 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.69 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.7 m-20 -40.91 -32.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.924 HD21 HG11 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -82.91 -44.88 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.698 HG23 ' HG2' ' A' ' 29' ' ' GLU . 69.7 t -53.81 -53.42 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -7.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.84 -6.94 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.812 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.7 mt -121.82 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.64 -27.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -58.84 -28.42 66.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 43.3 m-85 -79.43 -64.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.46 -138.26 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -98.87 143.87 28.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -103.79 127.0 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -78.45 -68.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 45' ' ' VAL . 49.0 t80 -142.94 155.55 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 29' ' ' GLU . 11.3 m -121.17 158.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.706 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttm -137.02 134.75 36.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.2 mmt -107.59 117.49 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.5 mtm -122.33 106.35 35.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.44 18.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.18 -64.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -139.01 37.33 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 55.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 19' ' ' HIS . 31.2 mt-30 -116.84 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -170.51 143.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' SD ' ' A' ' 46' ' ' MET . 24.2 mt -109.64 145.44 36.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CD1' ' A' ' 36' ' ' LEU . 18.3 t -133.26 97.67 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.1 tp10 -79.55 94.47 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 28.2 m-85 -64.54 152.14 42.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -42.04 -53.14 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.91 160.49 31.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.642 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -66.83 -37.84 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -41.93 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.7 m -60.39 -62.25 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -41.04 -51.4 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 14' ' ' VAL . 13.4 mtpt -41.49 -59.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.763 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -61.37 -45.76 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.9 m -53.45 -39.14 64.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.788 HG21 ' CE1' ' A' ' 87' ' ' TYR . 95.6 t -76.67 -70.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -39.7 -37.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CD1' HG13 ' A' ' 74' ' ' VAL . 23.8 t80 -70.39 -42.16 72.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -71.61 -4.06 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.25 -35.58 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -27.65 23.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -139.75 139.0 20.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.01 152.18 40.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.03 152.85 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 67.2 m-85 -132.89 137.82 46.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.642 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.4 mm -106.17 110.35 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 71.62 14.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.35 -16.94 48.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -89.62 143.36 26.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.6 tt0 -72.41 139.89 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -135.0 -177.21 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.84 134.44 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.637 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.2 m-85 -119.3 113.51 20.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.3 138.23 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.3 m-85 -40.69 144.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -95.82 144.94 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 89' ' ' THR . 44.6 p -53.35 -36.61 61.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.2 169.83 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -105.25 -42.87 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -120.46 149.06 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 33.7 mt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.743 HG12 HD11 ' A' ' 61' ' ' ILE . 17.2 t -55.66 159.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -155.33 141.74 13.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.98 -2.9 13.14 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 91' ' ' LYS . 22.1 t -116.92 109.24 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.3 t -84.63 123.99 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 22.7 t-160 -80.32 105.88 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.905 HG11 HD21 ' A' ' 32' ' ' LEU . 5.9 t -86.71 113.01 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.14 164.57 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.82 68.49 1.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.83 -175.59 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.17 153.85 21.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.41 -15.3 35.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.37 65.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.03 138.39 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.41 158.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.778 ' HG3' HG21 ' A' ' 45' ' ' VAL . 2.9 tt0 -47.27 -51.48 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -39.99 -67.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.755 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -41.04 -29.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -88.79 -42.91 11.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 29' ' ' GLU . 91.5 t -56.01 -50.94 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -7.55 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.714 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.96 3.01 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD13 HG11 ' A' ' 56' ' ' VAL . 5.2 mt -135.5 -42.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -46.38 -24.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -22.55 64.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 51.1 m-85 -82.15 -67.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.2 -121.92 0.88 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 m -118.45 141.5 48.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.456 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.8 mt -101.6 127.49 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 t -79.57 -69.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 45' ' ' VAL . 56.5 t80 -138.23 157.69 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 ' HG3' ' A' ' 29' ' ' GLU . 12.3 m -124.28 158.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.498 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -138.19 136.49 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mmt -106.71 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.616 ' HE1' HD21 ' A' ' 55' ' ' LEU . 31.1 mtm -115.63 113.13 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LYS . 18.0 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 57.96 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PRO . 4.9 mmtp -70.92 -8.57 53.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 59.56 44.02 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 75.1 mt-30 -96.81 172.0 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -162.13 138.9 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.4 mt -107.08 143.98 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.868 HG11 HD13 ' A' ' 36' ' ' LEU . 54.6 t -135.26 95.95 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -77.64 95.17 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.7 m-85 -63.73 152.77 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -43.8 -44.06 6.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 164.82 26.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.743 HD11 HG12 ' A' ' 14' ' ' VAL . 10.0 tt -69.13 -26.62 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -53.31 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -55.53 -52.06 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -44.08 -53.32 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.8 mtpt -56.7 -54.11 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.9 tp10 -43.35 -45.3 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 25.2 t -61.36 -54.94 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 87' ' ' TYR . 34.3 t -54.01 -71.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -40.64 -53.84 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 15.6 t80 -60.05 -34.5 73.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -80.07 3.11 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.71 -32.82 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.25 -31.71 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.5 p -135.0 138.39 29.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 148.34 35.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -127.85 153.7 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 81' ' ' GLN . 47.6 m-85 -134.11 134.5 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.714 HD13 ' CB ' ' A' ' 35' ' ' ALA . 5.7 mm -105.74 122.26 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.755 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 56.89 33.47 23.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.97 24.92 72.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.3 mm-40 -127.97 150.84 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.2 tp60 -77.71 139.04 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.47 174.88 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -128.6 144.32 51.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -124.81 116.23 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.57 139.52 28.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 68' ' ' VAL . 19.8 m-85 -44.22 143.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.96 144.79 26.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -51.07 -42.75 60.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.97 144.54 25.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.688 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -67.92 -52.0 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -107.04 154.79 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 71.6 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 61' ' ' ILE . 97.1 t 58.94 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 28.9 t -159.16 134.84 6.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' HG12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.3 t -126.87 101.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 HG22 ' A' ' 68' ' ' VAL . 1.5 t -80.89 120.21 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 15.7 t-160 -80.43 109.07 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 32' ' ' LEU . 7.8 t -86.02 116.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' NE ' ' CE1' ' A' ' 19' ' ' HIS . 13.2 mtt180 -113.64 173.93 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.64 64.34 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD21 ' CG1' ' A' ' 20' ' ' VAL . 49.3 mt -102.79 169.03 8.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -81.62 157.91 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -27.85 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.94 72.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -117.34 137.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.34 -179.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HG11 ' A' ' 45' ' ' VAL . 21.7 tt0 -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.66 -66.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . 7.7 m-20 -38.14 -35.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -84.37 -47.43 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 37' ' ' GLU . 71.3 t -54.71 -47.42 73.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -9.54 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.89 -39.05 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -84.29 -51.61 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 pp20? -40.16 -34.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -47.92 -25.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 52.2 m-85 -82.93 -70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.88 -121.69 0.95 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 m -112.26 148.05 34.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 36' ' ' LEU . 8.9 mt -112.82 123.06 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -60.22 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 24.8 t80 -145.36 164.44 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.631 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 81.0 t -140.41 117.65 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -100.38 137.15 39.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.85 119.11 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.1 mtm -111.15 106.57 57.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.63 17.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 14.1 mttt -130.52 58.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 44.69 61.61 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 6.3 mt-30 -125.43 166.69 16.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.2 141.07 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -103.25 142.15 34.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.624 HG21 ' CD1' ' A' ' 36' ' ' LEU . 53.7 t -128.18 98.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 2.0 tt0 -85.15 96.27 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.38 156.03 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.43 -48.34 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.01 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.863 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -51.1 -46.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ILE . 68.2 m-20 -38.82 -54.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -51.07 -45.72 61.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 14' ' ' VAL . 7.7 mtpt -58.26 -52.58 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.2 tt0 -51.49 -42.34 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 41.8 t -62.22 -63.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.63 HG21 ' CD1' ' A' ' 87' ' ' TYR . 70.6 t -50.55 -71.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 7.7 t -36.55 -52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 70.2 t80 -63.06 -41.51 99.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -81.5 5.1 18.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -107.66 -27.39 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.26 -27.4 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 75' ' ' PRO . 70.4 t -120.52 143.07 35.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.06 146.4 32.38 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 t -137.16 138.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 43.8 m-85 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.1 mm -114.46 106.2 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.6 14.05 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.28 -14.83 56.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.0 125.95 46.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.496 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -48.06 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.88 -175.12 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.76 148.31 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.658 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.8 m-85 -137.28 120.21 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -147.34 160.18 42.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.63 ' CD1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -62.66 133.15 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 17.4 t -93.71 139.15 31.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 p -84.73 45.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -123.76 -41.06 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.942 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER 82.42 -61.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.06 156.0 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 13.5 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 61' ' ' ILE . 41.7 t -46.27 157.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -154.44 146.87 17.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -9.24 20.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 91' ' ' LYS . 21.2 t -112.24 108.03 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 68' ' ' VAL . 1.8 t -83.55 122.22 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -80.24 106.22 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 32' ' ' LEU . 5.4 t -86.75 123.82 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -128.23 161.29 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 53.17 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 78' ' ' ILE . 68.8 mt -97.88 170.14 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 162.68 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.63 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -115.66 77.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.53 148.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 -179.72 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.4 tt0 -65.79 -56.67 10.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.84 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -40.7 -30.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD21 HG11 ' A' ' 20' ' ' VAL . 2.2 mt -89.28 -42.93 11.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 29' ' ' GLU . 54.5 t -55.57 -49.28 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.96 -6.87 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.38 -23.95 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.889 HD13 HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -104.24 -51.65 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -39.59 -31.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.61 -24.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 53.0 m-85 -84.23 -67.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.68 -131.14 1.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -101.76 146.2 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.836 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.5 mt -111.62 111.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.7 t -60.74 -61.54 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 37.9 t80 -146.17 168.47 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 56' ' ' VAL . 92.9 t -144.45 131.13 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.565 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -115.0 139.25 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.99 126.94 52.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' A' ' 55' ' ' LEU . 66.4 mtm -121.38 106.33 38.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.26 21.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -41.9 -65.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 7.8 mttt -139.07 59.58 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? 42.04 59.85 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.4 mt-30 -120.69 171.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.87 139.59 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 3.9 mt -108.14 145.82 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.889 HG21 HD13 ' A' ' 36' ' ' LEU . 3.4 t -135.59 102.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.4 tt0 -84.12 94.48 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.43 159.25 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 60' ' ' ASN . 6.3 pt-20 -50.71 -38.33 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -137.49 176.28 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 14' ' ' VAL . 12.9 tt -83.94 -23.76 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.65 -41.73 99.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -37.03 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.39 -50.75 68.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 mtpm? -56.21 -54.08 49.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 4.5 tt0 -42.19 -43.43 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 44.1 t -63.39 -54.03 43.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 41.7 t -57.94 -70.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' LYS . 8.9 t -38.24 -50.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 34.8 t80 -66.22 -38.21 87.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.46 3.19 25.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -110.1 -26.93 9.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.76 -34.3 7.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.708 HG13 ' HD2' ' A' ' 75' ' ' PRO . 67.8 t -113.54 143.17 28.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.708 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 t -133.66 142.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 36.4 m-85 -130.23 140.49 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 23' ' ' LEU . 28.7 mm -108.21 109.16 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 67.84 35.95 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.52 24.34 73.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.86 119.13 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.554 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -46.47 142.05 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.12 170.46 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -116.33 156.11 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.624 ' HE1' HD21 ' A' ' 36' ' ' LEU . 95.5 m-85 -143.47 114.68 7.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.98 142.43 30.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 24.3 m-85 -45.47 152.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -117.81 148.06 42.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.8 p -88.48 41.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -116.53 -34.61 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 mmtt 68.85 -61.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -116.89 155.47 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' MET . 2.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.668 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 10.1 t -42.82 161.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.461 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -154.9 132.87 6.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.96 -0.73 10.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 91' ' ' LYS . 46.8 t -119.95 103.88 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.0 t -81.82 126.11 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 20.9 t-160 -83.16 108.02 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.803 HG11 HD21 ' A' ' 32' ' ' LEU . 5.2 t -86.54 135.81 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -140.22 172.88 12.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 44.77 63.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD22 HG21 ' A' ' 78' ' ' ILE . 54.4 mt -85.83 168.48 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -73.55 165.98 24.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 108.308 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.95 -42.19 98.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.83 80.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.8 t -116.44 134.73 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.87 174.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG3' HG11 ' A' ' 45' ' ' VAL . 24.7 tt0 -56.5 -58.21 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.48 -66.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 22.6 m-20 -39.04 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HG11 ' A' ' 20' ' ' VAL . 2.6 mt -84.03 -46.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' GLU . 97.7 t -55.99 -52.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -13.69 14.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.9 -1.47 24.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -138.02 17.24 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.7 pp20? -96.83 -17.5 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.57 ' CE ' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.87 -26.18 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 33.3 m-85 -74.99 -59.03 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.06 -146.53 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -89.0 139.18 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.362 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.3 mt -100.36 112.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -61.22 -70.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 43.0 t80 -139.15 168.96 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 29' ' ' GLU . 71.9 t -143.03 116.83 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.484 ' HE2' HD12 ' A' ' 55' ' ' LEU . 1.3 tpp -96.39 138.48 33.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 120.16 37.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.1 mtm -116.31 106.77 48.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.16 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -122.38 45.01 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? 52.09 47.3 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 1.9 mt-30 -108.92 174.51 5.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.26 149.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 7.7 mt -109.36 144.29 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.695 HG21 HD13 ' A' ' 36' ' ' LEU . 42.1 t -129.85 100.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.68 95.92 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' HE2' HG21 ' A' ' 18' ' ' VAL . 35.7 m-85 -65.7 154.43 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.22 -41.68 62.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -134.19 143.18 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -54.52 -49.59 64.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-20 -38.39 -32.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -73.05 -56.44 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -42.94 -45.23 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -52.78 -57.74 9.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -43.72 -63.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 64' ' ' ALA . 4.9 t -52.26 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -39.16 -66.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' CE ' ' A' ' 38' ' ' LYS . 46.5 t80 -52.13 -35.32 47.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.11 7.64 18.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -109.28 -28.98 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.15 -32.63 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 75' ' ' PRO . 76.7 t -111.99 141.24 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.0 139.03 23.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.502 1.791 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -130.08 140.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -129.72 143.38 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' LEU . 42.1 mm -106.34 96.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 75.91 17.24 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.22 -21.3 31.43 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.411 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -91.09 129.62 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.15 144.73 57.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 23' ' ' LEU . . . -141.81 177.64 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.83 150.48 39.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.731 ' CE1' HD21 ' A' ' 36' ' ' LEU . 82.3 m-85 -135.46 124.36 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -153.68 159.22 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -62.98 132.28 51.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -81.53 133.56 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.5 p -41.26 -39.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 135.85 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.689 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -61.6 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -102.92 155.26 18.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.7 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.743 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 15.6 t -63.47 159.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 40.6 t -159.4 143.71 11.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.41 21.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.5 t -109.43 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.1 t -81.64 118.9 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.613 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 4.3 t-160 -80.04 107.46 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 32' ' ' LEU . 11.3 t -85.89 135.22 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -133.14 173.76 11.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.1 54.01 10.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -91.88 160.65 15.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.59 165.69 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -1.3 28.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 62.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 24' ' ' CYS . 3.2 t -109.99 132.54 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.28 164.03 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.4 tt0 -46.43 -60.89 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -36.78 -65.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.588 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 73.5 m-20 -39.74 -51.02 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -67.69 -40.41 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' GLU . 94.3 t -56.52 -43.19 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.98 -8.62 56.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.773 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -107.2 -11.68 15.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.7 mt -115.64 -44.98 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -50.84 -25.2 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.91 -15.89 36.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.1 m-85 -93.5 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -157.55 -129.96 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 m -102.02 148.55 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.2 mt -113.86 117.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.63 -64.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -148.41 161.64 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.586 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.1 t -135.59 125.53 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.518 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -108.16 143.8 36.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 46' ' ' MET . 1.6 mmt -110.27 110.11 20.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -97.37 109.59 50.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -63.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -155.4 75.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 24' ' ' CYS . 5.0 mmp_? 43.28 43.06 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 7.1 tt0 -101.08 165.16 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.56 139.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.3 mt -110.97 139.1 46.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 36' ' ' LEU . 54.5 t -123.08 101.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -87.46 94.76 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -67.29 164.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -57.01 -46.9 81.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.9 163.17 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 14' ' ' VAL . 17.9 tt -72.44 -38.98 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.17 -45.29 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -59.66 -54.85 41.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -43.78 -45.89 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -51.45 -52.39 46.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.648 ' HA ' HG22 ' A' ' 69' ' ' THR . 5.4 tt0 -50.4 -54.05 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -50.1 -42.13 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 108.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' ALA . 99.0 t -70.75 -72.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.2 t -41.59 -37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.631 ' O ' HG13 ' A' ' 74' ' ' VAL . 16.1 t80 -67.19 -42.39 84.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.634 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -75.5 2.8 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.11 -30.11 8.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.61 -35.79 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -126.24 137.6 30.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.04 126.14 9.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.803 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.028 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -95.91 148.2 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.5 127.62 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.5 mm -104.34 105.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.588 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 64.73 38.09 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.11 31.2 57.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -143.55 116.91 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 17.4 tm0? -38.37 156.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -152.31 159.24 43.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -121.27 128.64 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 1.028 ' CE2' HG21 ' A' ' 76' ' ' VAL . 32.3 m-85 -115.41 116.78 28.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.77 138.96 34.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.743 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -41.56 148.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' THR . 2.8 t -112.97 101.62 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.4 t -37.29 -34.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -42.14 -51.25 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 86.49 -50.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.14 143.97 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.518 HG23 ' HE2' ' A' ' 46' ' ' MET . 23.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.817 HG21 ' HE3' ' A' ' 65' ' ' LYS . 18.7 t -71.18 159.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 12.9 t -156.31 143.19 13.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 -14.4 21.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 91' ' ' LYS . 14.9 t -106.58 110.16 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -84.82 126.68 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 23.8 t-160 -80.74 105.55 12.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.808 HG12 HD21 ' A' ' 23' ' ' LEU . 4.8 t -88.34 107.27 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.603 HH21 ' NE2' ' A' ' 53' ' ' GLN . 14.7 mtp180 -104.5 174.1 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.28 79.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.808 HD21 HG12 ' A' ' 20' ' ' VAL . 94.9 mt -118.76 179.81 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 158.84 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 2.1 tm-20 -62.6 -36.57 83.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -111.14 75.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 32' ' ' LEU . 2.8 t -109.5 143.54 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.6 m -133.9 162.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 33' ' ' VAL . 20.6 tt0 -41.69 -57.96 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -38.43 -64.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 71.2 m-20 -39.83 -48.17 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -68.46 -55.48 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' GLU . 59.9 t -47.64 -52.48 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -34.99 65.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB3' HD13 ' A' ' 78' ' ' ILE . . . -95.25 7.65 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.994 ' CD1' HG21 ' A' ' 56' ' ' VAL . 6.0 mt -143.15 22.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 pp20? -106.81 -30.59 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -60.31 -24.36 64.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.701 ' HE2' HD23 ' A' ' 36' ' ' LEU . 30.4 m-85 -73.2 -65.03 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.77 -121.65 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -107.01 150.0 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.822 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -114.14 111.72 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -59.37 -73.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 50.9 t80 -135.81 171.78 13.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.868 HG22 HG22 ' A' ' 56' ' ' VAL . 77.3 t -145.33 141.75 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.6 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.9 ttm -124.95 144.27 50.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.33 126.07 52.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.617 ' HE1' HD21 ' A' ' 55' ' ' LEU . 57.4 mtm -120.28 106.32 40.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.6 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.66 -68.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -135.14 48.49 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 1.5 mmt85 52.96 51.33 16.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.603 ' NE2' HH21 ' A' ' 21' ' ' ARG . 6.8 mt-30 -106.86 168.33 9.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -162.05 135.13 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.617 HD21 ' HE1' ' A' ' 48' ' ' MET . 20.9 mt -106.96 147.15 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.994 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.0 t -137.96 105.82 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -86.43 98.18 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HE2' HG21 ' A' ' 18' ' ' VAL . 39.6 m-85 -67.4 159.25 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.19 -49.48 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -124.91 169.15 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 14' ' ' VAL . 18.7 tt -80.95 -16.36 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -70.46 -32.36 69.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 m -72.07 -54.35 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.73 -48.12 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.817 ' HE3' HG21 ' A' ' 14' ' ' VAL . 13.0 mtpt -53.46 -53.03 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.6 tt0 -48.61 -44.49 37.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -61.31 -52.23 65.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 99.1 t -54.02 -70.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -44.78 -49.91 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.624 ' O ' HG13 ' A' ' 74' ' ' VAL . 60.8 t80 -52.06 -38.21 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.723 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -80.69 8.83 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -108.9 -32.2 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.86 -37.26 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -125.3 137.15 29.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.5 Cg_endo -74.95 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.121 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.29 150.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.08 125.27 30.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.821 HD12 HD12 ' A' ' 32' ' ' LEU . 3.4 mm -97.47 107.94 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 63.97 39.32 8.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.21 70.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -137.41 116.71 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -37.81 140.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -138.89 157.89 45.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.87 130.71 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 1.121 ' CE2' HG21 ' A' ' 76' ' ' VAL . 20.9 m-85 -113.57 112.48 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 135.67 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -43.44 141.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -90.96 155.78 18.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -55.17 -55.16 34.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.79 173.27 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -97.25 -61.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -101.75 155.55 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.6 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.842 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 3.6 t -72.63 161.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.457 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 26.1 t -157.97 140.47 10.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.21 10.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.56 1.821 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.8 t -117.52 106.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 68' ' ' VAL . 1.8 t -81.64 126.91 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 15.1 t-160 -80.64 106.03 12.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HD21 ' A' ' 23' ' ' LEU . 4.6 t -87.37 118.67 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 1.5 mtt85 -123.37 162.74 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.13 55.25 28.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 78' ' ' ILE . 70.7 mt -94.33 -173.23 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -175.11 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.87 -35.22 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 77.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.28 135.03 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG22 ' OD2' ' A' ' 31' ' ' ASP . 22.8 m -117.75 167.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.531 ' HG3' HG11 ' A' ' 45' ' ' VAL . 15.5 tt0 -52.22 -57.21 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.28 -62.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' A' ' 28' ' ' VAL . 13.3 m-20 -39.68 -36.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.5 mt -83.13 -49.85 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' HA ' HD13 ' A' ' 42' ' ' ILE . 92.3 t -51.12 -57.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -14.79 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.97 -0.63 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 56' ' ' VAL . 1.8 mt -138.77 17.83 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -97.88 -16.86 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.07 -20.45 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 29.9 m-85 -80.95 -60.35 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.14 -152.02 7.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 m -85.32 137.97 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.6 mt -101.76 114.37 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -64.67 -70.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 28.2 t80 -138.39 166.04 25.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 62.2 t -141.81 125.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' ILE . 2.8 ttm -110.95 141.83 43.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.74 128.19 54.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.505 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.2 mtm -121.67 106.3 37.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.74 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.02 48.68 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.91 39.31 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -99.87 169.28 9.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' LEU . . . -165.19 150.69 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 46' ' ' MET . 16.0 mt -115.99 141.03 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 36' ' ' LEU . 65.6 t -128.31 98.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -80.92 94.87 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.1 m-85 -67.42 156.91 35.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.53 -49.85 66.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -119.33 154.1 34.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -66.94 -17.76 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.16 -44.55 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -56.52 -58.12 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -43.5 -46.06 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.964 ' O ' HG22 ' A' ' 69' ' ' THR . 10.4 mtpt -67.08 -38.02 84.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' SER . 5.1 tt0 -64.6 -35.26 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.7 t -69.74 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.6 m -34.89 -70.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.964 HG22 ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -39.43 -59.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' H ' HG23 ' A' ' 69' ' ' THR . 72.6 t80 -52.05 -35.55 47.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . . . -86.53 7.22 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -111.72 -28.07 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -29.28 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 75' ' ' PRO . 69.2 t -120.44 143.18 35.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.0 137.36 21.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.44 133.25 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -122.61 140.31 52.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.696 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 27.2 mm -107.42 96.23 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 84.06 14.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.95 -25.28 16.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 135.36 33.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.94 171.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.45 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -92.28 149.23 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CE1' HD21 ' A' ' 36' ' ' LEU . 59.7 m-85 -132.46 122.37 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -155.2 160.62 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.842 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.6 m-85 -62.43 131.46 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -85.35 137.2 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 89' ' ' THR . 69.6 p -45.6 -45.68 13.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.54 166.79 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -106.54 -43.97 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -122.64 152.06 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 46' ' ' MET . 21.9 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.811 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.0 t -45.9 159.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 41.8 t -153.45 141.77 14.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.99 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 92.3 t -114.69 104.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 68' ' ' VAL . 2.4 t -82.45 122.0 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -80.46 109.27 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 32' ' ' LEU . 6.9 t -86.96 124.87 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -122.48 167.69 13.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.41 56.4 22.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 mt -98.55 148.77 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -53.89 153.83 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -50.37 47.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -107.91 80.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.1 t -108.16 135.58 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 31' ' ' ASP . 15.6 m -112.39 168.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 23.7 tt0 -58.98 -54.39 47.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.17 -61.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 28' ' ' VAL . 5.3 m-20 -40.96 -29.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -91.13 -45.45 8.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.8 t -55.32 -50.21 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.23 -7.16 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.77 -21.41 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.5 mt -104.43 -41.16 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.3 pp20? -47.6 -23.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.29 -25.43 67.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m-85 -82.51 -67.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.95 -128.8 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.2 m -103.69 147.12 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -112.73 121.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.5 t -70.52 -63.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 108.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 54.3 t80 -145.64 171.26 14.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 84.0 t -144.28 130.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.447 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.4 tpp -114.63 139.42 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.54 126.1 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.432 ' CE ' HD21 ' A' ' 55' ' ' LEU . 41.4 mtm -120.11 108.51 38.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -13.72 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.72 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.4 43.67 2.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.6 mmt-85 56.48 46.02 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -102.97 169.68 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.46 138.0 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.5 mt -103.96 138.96 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 36' ' ' LEU . 49.2 t -125.34 97.08 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.1 tp10 -81.69 93.96 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.0 m-85 -66.85 161.18 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.24 -42.94 82.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.55 154.32 47.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 13.6 tt -64.69 -25.53 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m -60.47 -56.17 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.785 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -44.93 -41.2 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -69.85 -37.07 76.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' SER . 3.7 tp10 -62.62 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.603 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 49.5 t -68.77 -69.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.2 m -34.81 -71.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.3 t -37.68 -59.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 74' ' ' VAL . 36.8 t80 -51.19 -37.72 48.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.84 8.8 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -110.23 -30.96 7.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -35.7 9.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 70' ' ' PHE . 1.5 p -127.64 139.94 36.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.98 136.54 20.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -116.59 143.99 25.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -121.14 142.67 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.7 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.9 mm -116.62 96.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 83.94 26.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.11 -3.87 82.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -111.64 127.09 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -45.29 164.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 159.53 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.04 161.62 18.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 80.3 m-85 -145.21 112.84 6.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -141.54 133.87 28.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.811 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.4 m-85 -40.36 136.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -89.52 144.83 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.2 p -79.95 -11.33 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.4 p -73.57 -41.75 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER 83.15 -52.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -124.8 147.73 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 8.2 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.658 HG12 HD11 ' A' ' 61' ' ' ILE . 39.9 t -56.2 158.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -162.19 142.84 7.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 61.5 t -113.6 104.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 85' ' ' PHE . 2.2 t -82.16 126.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 19.7 t-160 -81.51 106.87 13.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 32' ' ' LEU . 4.0 t -86.65 137.27 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -146.13 159.92 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.1 67.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 32' ' ' LEU . 36.1 mt -93.45 153.17 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.86 160.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 108.279 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.84 99.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.5 81.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -116.4 159.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' N ' ' OD2' ' A' ' 31' ' ' ASP . 24.1 m -130.92 -165.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.75 ' HG3' HG11 ' A' ' 45' ' ' VAL . 26.1 tt0 -80.0 -57.87 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -35.77 -66.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.703 ' OD2' ' N ' ' A' ' 28' ' ' VAL . 1.8 p30 -36.01 -48.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 20' ' ' VAL . 3.0 mt -70.87 -48.54 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.0 t -49.78 -66.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -13.13 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -97.37 -2.7 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.946 HD13 HG11 ' A' ' 56' ' ' VAL . 3.0 mt -129.35 -37.79 1.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -45.64 -29.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -58.78 -28.85 66.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 33.0 m-85 -79.41 -69.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.33 -145.36 4.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -92.41 147.69 22.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.2 mt -111.46 132.47 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -64.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 59.3 t80 -140.09 170.42 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.75 HG11 ' HG3' ' A' ' 29' ' ' GLU . 59.8 t -141.1 114.06 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.758 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -96.01 133.91 39.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 111.05 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.88 123.81 47.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.6 mtm -123.82 107.32 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 -12.5 21.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.7 -57.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.98 41.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 56.75 42.32 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 4.3 mt-30 -103.16 177.92 4.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -174.23 143.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.7 mt -104.67 139.0 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.946 HG11 HD13 ' A' ' 36' ' ' LEU . 49.0 t -123.27 96.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 3.3 tp10 -78.15 95.38 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 30.6 m-85 -68.14 158.19 33.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.05 -49.84 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.24 161.93 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -71.07 -36.4 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.81 -42.33 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ALA . 2.7 m -62.83 -60.61 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -38.67 -52.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -42.74 -67.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -46.15 68.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.614 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 28.4 m -48.27 -49.05 34.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 64' ' ' ALA . 8.9 t -70.05 -67.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -39.29 -62.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 16.1 t80 -51.82 -32.51 31.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.76 8.41 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -113.47 -34.91 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -35.8 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -126.3 139.93 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.02 145.52 31.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.1 139.01 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.47 143.34 45.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.2 mm -106.6 105.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 75.43 6.66 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.09 -25.11 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.75 131.42 36.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.75 163.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.1 172.57 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.15 151.3 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE1' HD21 ' A' ' 36' ' ' LEU . 94.6 m-85 -136.79 124.93 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.71 138.3 20.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.658 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 23.1 m-85 -40.68 138.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 40.6 t -80.38 153.03 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.4 p -54.55 -54.09 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 173.92 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.5 mmtm -87.13 -72.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -94.56 155.25 16.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.758 HG23 ' HE2' ' A' ' 46' ' ' MET . 55.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.783 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 7.8 t -48.87 159.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 3.5 t -159.61 142.02 9.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.5 t -117.29 102.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG13 HG13 ' A' ' 68' ' ' VAL . 2.3 t -81.4 123.08 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.6 107.81 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 4.8 t -86.17 128.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -127.4 163.26 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 62.61 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.75 161.34 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -63.44 167.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -14.32 61.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -140.15 74.26 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.2 t -105.91 145.35 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.547 HG23 ' H ' ' A' ' 31' ' ' ASP . 33.5 m -120.27 169.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 33' ' ' VAL . 37.2 tt0 -59.97 -55.27 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.19 -61.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.547 ' H ' HG23 ' A' ' 28' ' ' VAL . 11.2 m-20 -41.56 -29.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HG ' HG21 ' A' ' 78' ' ' ILE . 1.3 mt -92.36 -42.95 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.3 t -53.76 -53.11 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.99 -6.63 29.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.622 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.23 -14.09 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 2.0 mt -114.14 -40.32 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 pp20? -47.67 -26.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -58.92 -20.54 52.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 54.5 m-85 -88.6 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.16 -135.44 1.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 m -98.97 140.95 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -104.75 116.04 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.07 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 53.9 t80 -151.8 163.21 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG11 ' HG3' ' A' ' 29' ' ' GLU . 97.9 t -136.31 131.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.621 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.1 ttp -118.1 141.36 48.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.7 129.72 53.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.552 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -114.47 111.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -74.99 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 49.1 m-85 -151.26 127.92 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt 44.6 30.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 45.93 94.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.8 mt-30 -142.98 169.85 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 140.2 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HE3' ' A' ' 48' ' ' MET . 6.2 mt -105.43 136.81 44.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 36' ' ' LEU . 51.4 t -124.31 96.56 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -81.22 94.47 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 29.4 m-85 -67.46 157.84 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.09 -48.86 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.33 162.1 22.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.726 HD11 HG12 ' A' ' 14' ' ' VAL . 15.7 tt -69.6 -25.06 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.12 -53.79 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.583 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m -46.39 -56.04 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.969 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -47.16 -44.98 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.904 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER -70.24 -37.48 74.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.612 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -68.23 -64.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -39.37 -72.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.5 t -37.5 -58.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.448 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 66.9 t80 -50.91 -39.79 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.82 8.67 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.48 -27.95 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -31.82 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 75' ' ' PRO . 75.9 t -116.86 140.61 27.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.0 133.47 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.47 133.85 67.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -122.07 135.63 54.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.7 mm -108.27 116.45 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 73.94 6.44 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.83 -22.58 18.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -93.29 145.25 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.21 161.12 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.91 165.37 15.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.614 ' HE1' HD21 ' A' ' 36' ' ' LEU . 84.1 m-85 -149.24 112.9 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.13 136.42 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.783 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.8 m-85 -41.2 143.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -106.1 150.52 25.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.7 p -94.07 31.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -110.62 -26.72 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.7 mmtt 67.8 -67.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mtt180 -111.44 155.39 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 46' ' ' MET . 11.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.87 -58.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t 62.84 81.97 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.43 -73.16 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -174.34 82.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 110.036 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -45.29 122.57 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.09 -138.18 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t 60.86 153.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.96 148.16 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -87.34 174.28 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.15 155.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.33 -48.66 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m 55.25 168.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.713 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 24.5 t -52.59 159.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 33.9 t -158.12 144.49 12.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.0 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.9 t -119.53 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 68' ' ' VAL . 2.2 t -83.15 123.08 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.08 107.82 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG11 HD21 ' A' ' 32' ' ' LEU . 5.7 t -86.89 126.05 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -133.44 156.67 47.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.48 49.23 26.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 78' ' ' ILE . 81.6 mt -96.39 172.57 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.5 165.59 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -31.57 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.9 m -118.82 77.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.46 142.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -119.18 178.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.2 tt0 -67.12 -46.68 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -49.99 -61.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -40.56 -40.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -79.47 -41.75 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.5 t -56.67 -47.88 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.46 -7.14 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.513 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.47 -23.65 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -103.07 -45.22 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.6 pp20? -45.14 -29.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -54.33 -24.75 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 58.1 m-85 -83.93 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.75 -130.72 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -100.39 147.41 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.9 mt -112.58 118.88 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -68.34 -61.86 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 41.5 t80 -148.75 168.13 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.557 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 70.7 t -143.44 135.47 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 55' ' ' LEU . 3.1 ttm -118.76 141.43 48.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.96 132.75 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' ' HG ' ' A' ' 55' ' ' LEU . 2.9 mpp? -124.25 106.8 30.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -133.52 59.33 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.2 OUTLIER 42.16 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.8 mt-30 -128.24 171.23 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.55 146.45 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 46' ' ' MET . 12.4 mt -107.35 145.42 32.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 63.1 t -131.3 99.86 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.62 95.04 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 24.8 m-85 -68.27 160.29 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.48 -50.76 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.2 163.52 26.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -64.76 -27.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -55.65 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -53.4 -55.02 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.39 -51.17 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.3 mtpt -55.71 -56.05 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -41.27 -44.78 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 48.6 t -62.06 -55.74 25.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 36.8 t -54.62 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -39.92 -53.89 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' HG23 ' A' ' 69' ' ' THR . 16.6 t80 -61.76 -34.63 76.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -82.48 5.88 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.71 -33.07 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -33.09 16.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -132.84 139.19 33.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.03 148.74 35.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.81 146.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 28.5 m-85 -123.14 138.36 54.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 23' ' ' LEU . 17.8 mm -102.26 120.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 54.94 36.07 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.31 29.06 62.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.14 120.67 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.8 tp60 -44.92 142.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.11 174.71 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -132.31 138.7 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.655 ' HE1' HD21 ' A' ' 36' ' ' LEU . 96.8 m-85 -122.93 115.42 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.74 140.45 33.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.713 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 20.1 m-85 -45.28 127.98 7.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -71.31 160.42 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.2 p -64.81 -55.1 21.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.31 170.93 14.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.3 mmtt -95.94 -41.51 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -122.15 152.25 40.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' MET . 59.9 mt -75.75 129.34 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.7 m -70.05 128.75 37.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -86.02 157.39 57.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.92 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.82 -109.46 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.05 119.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.76 153.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.89 176.83 16.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.41 2.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.9 t -141.4 132.14 25.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 p -100.88 129.57 46.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -118.05 105.79 12.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -150.39 126.39 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.73 158.2 18.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -140.07 155.4 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.92 94.56 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.89 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -157.18 -57.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 110.037 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 2.8 p80 -91.85 114.73 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.53 169.24 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.54 78.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.74 173.71 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.2 m -64.86 -178.13 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 65' ' ' LYS . 43.3 t -72.59 155.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -152.71 141.37 14.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.6 t -118.97 106.25 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG13 HG22 ' A' ' 68' ' ' VAL . 2.0 t -82.91 122.04 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -81.76 108.03 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 32' ' ' LEU . 5.6 t -86.46 126.71 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -129.44 152.51 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.65 63.39 2.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' C ' ' NE2' ' A' ' 81' ' ' GLN . 98.6 mt -110.94 159.9 17.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.0 t -62.2 168.4 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.0 -0.24 23.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 62.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 24' ' ' CYS . 1.9 t -104.3 137.13 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' LEU . 13.1 m -110.96 -178.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.1 tt0 -68.61 -55.47 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.53 -63.41 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.6 -31.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -88.84 -42.87 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.4 t -54.05 -52.76 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.42 -7.17 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.621 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -104.18 -13.31 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.754 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -115.11 -38.94 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -48.8 -28.57 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.25 -21.92 26.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 47.9 m-85 -87.25 -61.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.21 -134.6 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.8 m -97.46 147.24 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.5 mt -112.24 116.14 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.0 -62.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.351 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 44.6 t80 -150.82 165.66 32.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG11 ' HG3' ' A' ' 29' ' ' GLU . 92.7 t -140.28 124.3 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.531 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.3 ttp -104.62 139.01 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.36 109.19 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.39 111.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 55.71 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.555 1.818 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 38.6 m-85 -152.24 128.79 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 50.88 22.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? 48.67 82.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 53' ' ' GLN . 2.2 mt-30 -134.43 175.12 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.97 139.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.0 mt -101.26 142.45 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG11 HD13 ' A' ' 36' ' ' LEU . 62.4 t -128.11 98.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -85.7 94.86 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 28.8 m-85 -66.94 165.04 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.21 -52.7 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.35 167.2 12.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 HG12 ' A' ' 14' ' ' VAL . 15.2 tt -77.09 -17.06 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.78 -38.06 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -66.56 -53.85 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -41.68 -49.87 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 14' ' ' VAL . 16.5 mtpt -55.53 -56.7 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -41.58 -45.3 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 47.9 t -61.87 -52.69 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 87' ' ' TYR . 47.4 t -57.5 -71.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 70' ' ' PHE . 10.2 t -39.0 -53.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.512 ' N ' HG23 ' A' ' 69' ' ' THR . 52.4 t80 -62.6 -37.74 87.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -82.25 4.4 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -108.16 -29.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.84 -33.06 7.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 75' ' ' PRO . 56.0 t -114.17 138.91 23.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.0 139.59 24.46 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.6 138.85 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -122.44 137.87 54.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.9 mm -113.3 109.27 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.53 37.85 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.03 24.97 74.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 23' ' ' LEU . 3.9 tt0 -137.93 121.23 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.45 159.11 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.6 168.27 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -115.34 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.6 m-85 -120.16 120.99 37.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -143.09 166.52 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.4 m-85 -70.33 141.79 52.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -103.89 130.17 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.6 p -76.68 57.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -133.49 -45.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 90' ' ' SER . 5.6 tptt 84.58 -54.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 144.37 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 46' ' ' MET . 12.5 mt -85.18 136.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -64.34 127.65 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -92.63 159.11 37.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.65 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 44.47 -116.73 1.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.48 -57.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -62.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.33 -170.86 19.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 95.83 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.6 t -130.83 136.79 48.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.51 -58.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.947 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -152.55 169.92 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -127.67 -59.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.21 71.74 0.92 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 161.79 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -111.68 -60.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.27 -178.81 33.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.36 166.94 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -80.37 -71.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.8 t-160 54.54 84.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -62.96 110.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 10' ' ' HIS . 39.9 t -128.11 130.09 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 p -103.78 168.81 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 24.5 t -47.1 159.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 45.5 t -158.84 143.05 11.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.97 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.3 t -119.11 108.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 68' ' ' VAL . 1.7 t -82.46 122.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 15.3 t-160 -80.3 104.53 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 3.4 t -86.59 117.86 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 135.01 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.1 36.44 4.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.19 -132.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.48 -171.09 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -37.99 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 46.8 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.12 135.59 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.94 172.71 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.8 tt0 -54.77 -58.72 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.57 -65.08 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.9 m-20 -39.11 -33.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 78' ' ' ILE . 3.1 mt -86.34 -45.59 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 37' ' ' GLU . 65.6 t -54.93 -48.69 74.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -7.72 23.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.23 -25.51 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD1' HG21 ' A' ' 56' ' ' VAL . 1.3 mt -100.09 -46.03 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 33' ' ' VAL . 16.3 pt-20 -41.33 -37.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -43.83 -28.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 46.4 m-85 -80.85 -67.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -135.88 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 152.65 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 37' ' ' GLU . 6.2 mt -119.95 113.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t -62.63 -63.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.07 169.4 18.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 ' HG3' ' A' ' 29' ' ' GLU . 77.2 t -144.63 121.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -105.82 140.95 38.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.71 122.47 46.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.732 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.1 mtm -119.95 106.23 41.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.803 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.3 t80 75.36 -62.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.8 mttt -109.64 24.49 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 37.94 78.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 11.4 mt-30 -132.21 -179.8 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.13 138.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.732 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -100.9 146.78 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 36' ' ' LEU . 66.6 t -132.47 100.8 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -87.58 94.77 9.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 31.8 m-85 -68.64 163.17 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -48.21 -53.14 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.67 166.08 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 19.3 tt -69.31 -24.01 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.61 -49.67 75.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -52.77 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.07 -49.62 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -56.53 -53.15 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.1 tp10 -43.2 -43.42 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 51.6 t -62.98 -58.38 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 18' ' ' VAL . 85.6 t -52.95 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 70' ' ' PHE . 13.3 t -39.04 -53.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 69' ' ' THR . 39.4 t80 -62.18 -35.61 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -78.71 2.8 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.17 -31.05 7.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -31.17 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -134.88 139.96 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.05 149.55 36.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.08 149.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -127.95 142.55 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 36.4 mm -108.02 119.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.64 14.29 9.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.11 -16.64 49.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 17.1 mm100 -88.2 159.31 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.8 tp60 -80.7 138.6 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.53 167.97 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -120.68 169.6 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.581 ' HE1' HD21 ' A' ' 36' ' ' LEU . 87.7 m-85 -149.1 117.49 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -147.88 140.1 24.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.0 m-85 -41.24 145.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.5 t -96.93 135.74 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.3 p -43.68 -41.42 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.22 170.49 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.8 tptt -106.11 -48.88 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 3.2 ttt180 -120.66 142.36 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.0 mt -70.73 145.43 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -85.33 141.14 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -90.96 152.61 44.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.4 26.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 102.82 -159.95 17.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -174.77 156.3 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.794 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -153.7 151.99 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.11 87.82 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.67 5.26 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.5 p -90.32 137.96 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 39.6 87.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -161.66 145.05 12.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.1 97.77 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.14 61.23 4.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.85 105.87 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.37 -171.24 21.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.4 p -167.81 166.34 13.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 0.759 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -105.54 146.26 29.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.3 66.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.586 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 53.33 70.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.3 136.79 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 p -98.7 171.26 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 38.8 t -44.26 158.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 41.4 t -161.58 140.76 7.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.622 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -5.81 17.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.9 t -113.24 106.21 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 68' ' ' VAL . 1.9 t -85.82 122.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -80.55 108.68 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.552 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 6.6 t -86.58 132.67 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -131.15 172.61 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.29 61.24 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.89 -177.28 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.81 -173.54 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -42.46 15.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -113.63 73.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG21 ' H ' ' A' ' 24' ' ' CYS . 3.9 t -106.06 133.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.1 m -116.98 176.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG3' HG11 ' A' ' 45' ' ' VAL . 14.4 tt0 -57.45 -59.53 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.1 -62.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 15.3 m-20 -39.63 -37.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -83.13 -51.12 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 42' ' ' ILE . 69.7 t -49.22 -57.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -14.55 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.617 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -0.68 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.806 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.9 mt -139.8 18.82 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -98.14 -17.82 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -23.94 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 46.8 m-85 -77.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.93 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 m -87.54 136.62 32.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.7 mt -99.13 112.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -58.96 -71.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -137.75 170.35 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.5 t -144.06 113.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.455 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -99.72 137.63 37.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.75 110.6 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.603 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.3 mtm -100.7 108.05 51.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -146.26 130.0 17.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp 43.95 30.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 47.02 84.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.9 mt-30 -142.88 173.38 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 156.21 6.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt -116.06 137.78 51.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 36' ' ' LEU . 38.1 t -124.54 96.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -81.23 95.16 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 22.8 m-85 -66.15 156.16 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -52.43 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.22 171.9 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 16.5 tt -81.27 -36.23 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -51.3 -29.24 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -73.8 -59.7 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.9 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -42.08 -59.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 69' ' ' THR . 1.6 tp10 -61.35 -45.13 95.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -52.55 -39.79 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.534 HG21 ' CE1' ' A' ' 87' ' ' TYR . 74.2 t -76.12 -71.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -38.08 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD1' HG13 ' A' ' 74' ' ' VAL . 17.8 t80 -68.42 -46.74 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -66.1 -9.1 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.3 -39.97 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.36 40.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.604 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.0 p -143.56 140.08 17.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.87 153.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.466 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.4 m-85 -132.75 137.69 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.617 HD13 ' CB ' ' A' ' 35' ' ' ALA . 16.8 mm -106.0 107.72 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 71.82 26.63 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.55 -3.86 85.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -107.79 122.98 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.466 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 6.9 tm0? -47.9 165.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.39 160.82 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 15.8 m-85 -112.14 146.69 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 86.1 m-85 -131.49 118.05 19.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.12 149.89 35.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.0 m-85 -49.43 148.16 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' SER . 5.4 m -112.66 102.56 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.33 -31.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 1.2 m -43.38 -52.41 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' SER . 14.5 tptt 85.39 -49.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.74 148.28 46.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 46' ' ' MET . 14.8 mt -88.22 123.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.1 m -72.21 126.03 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -93.13 153.57 41.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 98.01 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.04 -128.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.83 95.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.7 t -124.97 94.38 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.87 -146.06 20.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.56 40.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 140.8 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.77 96.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 71.58 -67.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.56 106.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 176.36 54.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 44.52 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -118.8 124.45 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.35 142.49 3.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p -174.49 121.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -127.22 121.46 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -146.44 -67.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.96 132.38 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -140.64 -59.91 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m 68.39 143.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.754 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.3 t -43.5 161.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.44 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 14.7 t -154.68 143.9 15.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 91' ' ' LYS . 48.6 t -108.39 111.13 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -85.94 128.44 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.81 106.54 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 23' ' ' LEU . 3.5 t -86.38 126.25 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -130.33 165.32 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.27 54.91 33.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 20' ' ' VAL . 42.5 mt -97.37 160.21 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -62.09 172.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 108.32 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.49 -46.88 62.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.51 80.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.6 t -114.62 146.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.569 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.5 m -125.01 -174.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HG3' HG11 ' A' ' 45' ' ' VAL . 19.3 tt0 -69.59 -60.92 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -38.9 -65.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.57 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 12.3 m-20 -37.9 -40.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.3 mt -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.6 t -51.03 -48.95 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -16.29 27.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.05 -0.04 25.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.842 HD21 ' CZ ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -137.57 17.55 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.8 pp20? -100.15 -18.22 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -22.95 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 27.9 m-85 -76.92 -64.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.49 -135.96 1.97 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -95.94 143.77 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -107.72 113.04 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.0 t -62.76 -71.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -135.94 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 29' ' ' GLU . 61.2 t -144.85 111.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HE1' HG23 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -96.01 138.26 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 132.86 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.521 ' HE1' ' N ' ' A' ' 54' ' ' ALA . 1.8 mpp? -123.96 106.96 31.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -9.97 21.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -45.88 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -132.69 45.13 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? 54.05 43.17 31.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 18.4 mt-30 -104.01 170.98 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.521 ' N ' ' HE1' ' A' ' 48' ' ' MET . . . -169.86 146.86 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.9 mt -106.73 147.5 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 36' ' ' LEU . 55.2 t -132.06 100.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.2 tp10 -84.67 95.8 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 25.2 m-85 -68.22 163.11 23.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.5 -45.23 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 166.78 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 19.2 tt -75.37 -12.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -74.14 -25.92 60.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.3 m -80.07 -56.76 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.14 -43.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -59.79 -61.41 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -39.05 -45.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 23.8 t -57.28 -60.01 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 64' ' ' ALA . 14.0 t -48.37 -71.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 5.7 t -42.04 -54.04 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.612 ' O ' HG13 ' A' ' 74' ' ' VAL . 13.9 t80 -53.85 -40.33 66.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -79.14 6.52 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -105.49 -32.01 8.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -34.76 11.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -127.29 135.04 26.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.91 8.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.107 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.39 150.18 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.94 128.98 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 32' ' ' LEU . 25.8 mm -97.73 107.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 59.42 36.18 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.84 39.34 20.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 116.09 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.5 tt0 -43.63 143.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -140.05 156.8 46.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -114.1 129.18 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 1.107 ' CE2' HG21 ' A' ' 76' ' ' VAL . 19.0 m-85 -114.72 113.57 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 58.0 m-80 -134.74 164.38 27.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.754 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.2 m-85 -72.1 125.98 28.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -83.77 115.5 22.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.9 p -53.46 -21.97 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -63.97 -25.66 68.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.7 mmtm 69.52 -62.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 22.9 mmt85 -113.54 153.85 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 46' ' ' MET . 20.0 mt -86.75 135.85 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.3 m -77.62 127.72 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -90.52 153.95 46.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.01 36.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 80.1 86.24 0.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.13 -59.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -81.23 -64.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.77 -149.3 49.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.34 3.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.774 . . . . 0.0 111.051 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.94 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 p -142.95 105.96 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.0 128.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -177.94 142.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.55 167.7 35.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -165.98 166.73 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -118.19 168.73 10.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 101.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.98 150.77 31.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 0.812 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 108.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -169.61 -59.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -115.12 160.87 19.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.7 t 66.01 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -103.7 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 ' HD3' ' A' ' 65' ' ' LYS . 2.8 t -53.04 164.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 43.4 t -161.09 135.66 5.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.3 Cg_endo -74.98 -7.01 18.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' LYS . 57.2 t -113.77 103.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -81.95 123.15 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 15.0 t-160 -80.55 106.74 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 32' ' ' LEU . 2.9 t -86.54 118.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 19' ' ' HIS . 2.1 mtt180 -119.19 169.77 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.02 68.61 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -86.75 174.69 8.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -9.14 59.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.53 71.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -108.84 150.68 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 31' ' ' ASP . 28.4 m -127.76 178.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.4 tt0 -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.98 -63.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' H ' HG23 ' A' ' 28' ' ' VAL . 34.6 m-20 -40.17 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD21 HG11 ' A' ' 20' ' ' VAL . 2.7 mt -90.78 -43.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 29' ' ' GLU . 52.5 t -53.91 -50.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.51 -7.94 29.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.28 -11.5 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.4 mt -114.89 -37.15 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -49.45 -23.76 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -14.82 52.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 49.9 m-85 -96.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.71 -151.1 6.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -82.39 147.12 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.1 mt -110.99 115.04 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -66.15 -58.36 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -151.43 166.53 30.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG11 ' HG3' ' A' ' 29' ' ' GLU . 72.8 t -142.76 124.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.624 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -108.58 141.85 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.45 132.28 54.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.3 mtm -124.14 106.54 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 -17.01 19.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.29 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.18 54.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.17 74.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.0 mt-30 -139.07 170.26 16.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.94 145.19 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.9 mt -106.47 145.93 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 36' ' ' LEU . 56.0 t -130.87 100.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -85.94 94.52 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.605 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m-85 -67.35 155.03 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.27 -54.93 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -120.8 165.85 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.831 HD11 HG12 ' A' ' 14' ' ' VAL . 21.3 tt -73.83 -35.57 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -48.44 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 3.3 m -52.39 -61.32 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . . . -41.32 -56.4 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HD3' HG21 ' A' ' 14' ' ' VAL . 20.0 mtmt -39.76 -57.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.762 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -61.91 -43.6 98.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.605 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.2 m -55.04 -38.89 68.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 87' ' ' TYR . 99.5 t -76.55 -69.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.762 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -40.19 -37.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 11.9 t80 -70.76 -40.83 72.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.64 0.39 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.59 -31.52 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -29.3 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -136.89 138.78 26.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 151.98 40.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.22 149.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.7 m-85 -126.37 136.72 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.606 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -105.56 114.7 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.12 35.72 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.97 19.81 79.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.86 121.78 28.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.4 tp60 -48.13 143.74 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.32 176.98 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -131.42 145.51 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.675 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.9 m-85 -132.41 115.41 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -146.72 142.25 27.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.703 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -42.96 135.81 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -85.82 157.88 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.7 p -61.49 -49.34 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -74.37 176.41 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -105.23 -45.29 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 2.7 ptt85 -124.08 149.46 46.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.624 HG21 ' HB2' ' A' ' 46' ' ' MET . 58.2 mt -71.27 142.87 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.27 130.53 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -95.9 154.02 39.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.28 3.44 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.8 145.97 4.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -138.15 157.75 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.76 158.15 44.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.43 159.44 30.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.24 41.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -111.58 -56.79 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 58.27 85.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 142.45 34.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.34 148.8 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.68 177.7 29.42 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -169.56 133.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.27 174.6 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.36 -178.52 28.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.07 167.34 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -165.69 111.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -153.78 99.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 126.68 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.51 157.36 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.9 p -116.98 -179.51 3.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.4 t -59.94 161.45 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 28.8 t -157.93 144.5 12.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.08 17.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 53.3 t -113.57 104.29 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.8 t -82.19 122.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.58 108.11 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.682 HG11 HD21 ' A' ' 32' ' ' LEU . 3.7 t -86.1 130.53 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -133.73 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.53 68.35 0.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -106.31 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.13 -174.85 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 -34.49 22.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 76.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' CB ' ' A' ' 24' ' ' CYS . 19.5 t -108.79 144.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -127.89 161.69 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.6 tt0 -43.82 -56.81 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -43.04 -63.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -42.17 -29.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.682 HD21 HG11 ' A' ' 20' ' ' VAL . 1.5 mt -90.98 -40.67 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 37' ' ' GLU . 89.6 t -55.82 -45.17 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -7.76 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.76 -15.33 14.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -114.15 -48.52 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.65 -30.02 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -55.81 -18.4 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.2 m-85 -91.45 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.5 -134.43 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m -100.39 146.67 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.802 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.6 mt -112.76 120.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.1 t -68.91 -63.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 56.9 t80 -145.66 166.98 24.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 76.4 t -141.85 128.24 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -114.56 133.58 55.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.2 135.88 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -123.67 106.29 32.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.04 9.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -53.41 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.58 56.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.23 74.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 36.2 mt-30 -142.64 173.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -173.6 147.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.3 mt -104.58 142.5 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 36' ' ' LEU . 61.9 t -126.95 97.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -82.97 94.95 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.2 m-85 -67.97 158.36 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.22 -36.75 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -135.84 154.61 51.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 HG12 ' A' ' 14' ' ' VAL . 16.4 tt -64.5 -35.52 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -52.95 -42.35 65.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.489 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 16.9 m -61.98 -53.74 51.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -45.55 -44.06 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 14' ' ' VAL . 27.9 mtpt -58.33 -60.86 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 7.1 tt0 -39.22 -44.6 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 85' ' ' PHE . 36.3 t -59.42 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' CE1' ' A' ' 87' ' ' TYR . 21.0 t -51.09 -71.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 7.6 t -40.74 -52.05 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 74' ' ' VAL . 17.1 t80 -54.37 -37.75 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -76.08 2.55 12.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -106.82 -30.05 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -35.53 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -127.81 134.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.067 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -91.75 145.82 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -134.68 125.88 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 21.1 mm -93.52 97.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.76 9.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.08 -22.53 12.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -85.39 132.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 2.0 tp60 -49.65 142.01 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -134.85 163.07 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 3.4 m-85 -128.77 131.88 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 1.067 ' CE2' HG21 ' A' ' 76' ' ' VAL . 30.0 m-85 -120.08 121.0 37.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.34 163.14 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.892 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.2 m-85 -69.23 144.82 53.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 t -118.62 128.69 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.6 p -74.89 56.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -43.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 12.5 mmtm 72.03 -60.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 7.0 ttt180 -105.1 144.61 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 24.5 mt -95.49 124.82 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.6 m -57.25 130.01 44.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -98.18 153.57 38.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.1 40.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.813 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.33 155.86 53.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -123.81 124.19 42.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.5 t -87.26 -60.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.21 -98.73 0.91 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.04 2.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.47 -60.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 122.63 29.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 63.11 105.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -70.82 108.05 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.76 -160.95 39.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -176.89 155.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 p -126.51 143.43 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.935 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.17 150.41 8.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -172.4 139.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.046 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -85.3 133.42 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.575 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -153.21 -59.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.37 160.45 24.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t 66.76 142.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 t -101.19 -178.62 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.711 HG12 HD11 ' A' ' 61' ' ' ILE . 24.1 t -58.79 158.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 t -157.3 142.6 12.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.96 -13.17 21.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 91' ' ' LYS . 54.5 t -109.05 105.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.37 124.91 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -81.96 110.53 17.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 32' ' ' LEU . 6.0 t -86.63 127.92 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -124.69 172.33 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.52 71.25 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -107.11 173.65 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -80.42 -174.84 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -41.61 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.22 69.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -103.2 136.99 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 31' ' ' ASP . 34.3 m -121.58 163.4 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' HG23 ' A' ' 33' ' ' VAL . 26.4 tt0 -49.57 -57.52 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.77 -63.01 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 28' ' ' VAL . 17.4 m-20 -40.17 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -90.17 -42.87 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 29' ' ' GLU . 40.1 t -54.22 -54.16 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.12 -7.21 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.643 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -103.63 -13.58 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.2 mt -115.93 -40.38 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.1 pp20? -44.2 -33.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' CE ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.18 -27.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 34.5 m-85 -82.62 -65.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.42 -140.09 2.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -91.52 152.39 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -118.08 113.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -62.48 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 51.7 t80 -146.53 171.04 15.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.3 t -145.23 122.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -104.98 138.92 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.88 121.96 45.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.667 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.2 mtm -121.12 106.41 38.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.07 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.1 t80 72.18 -60.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -106.34 20.68 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.0 60.15 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.79 174.25 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.54 140.38 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.7 mt -101.49 144.6 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 36' ' ' LEU . 55.1 t -130.04 99.75 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -84.98 94.76 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.32 161.69 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -51.72 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.38 172.55 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.711 HD11 HG12 ' A' ' 14' ' ' VAL . 19.8 tt -82.17 -9.76 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.95 -41.45 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -52.99 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.59 -49.68 2.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -52.62 -52.7 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -47.26 -50.68 20.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.8 t -49.78 -54.24 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.4 t -58.72 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -40.14 -62.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 30.8 t80 -52.58 -33.02 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.26 9.2 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -112.76 -31.63 6.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -36.33 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.2 p -127.32 138.72 33.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 147.41 33.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.5 138.62 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 25.7 m-85 -120.25 146.83 45.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.0 mm -111.09 118.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.17 34.49 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.89 35.55 49.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.39 123.38 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -50.07 143.92 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.4 174.74 10.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 52.9 m-85 -128.75 144.69 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 91.1 m-85 -129.43 112.2 13.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -140.74 136.39 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.724 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.3 m-85 -44.01 130.93 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -73.04 158.38 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -65.06 -40.15 94.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.78 169.01 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.5 mmtt -87.48 -71.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 11.0 mtm105 -101.22 155.04 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 46' ' ' MET . 56.3 mt -72.1 140.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -70.54 133.2 46.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -105.11 147.91 35.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 53.45 172.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 175.61 123.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -171.27 118.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 99.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.6 p -152.46 -53.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -45.6 -56.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -110.02 127.22 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 109.957 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -168.16 103.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.95 -128.53 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 65.31 160.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 61.96 158.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 119.73 2.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.23 115.04 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -175.66 157.75 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.19 82.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -143.29 85.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 129.21 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 p -98.73 172.95 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 38.0 t -50.38 159.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.2 t -158.05 143.9 12.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.2 t -114.72 106.28 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 68' ' ' VAL . 1.6 t -81.71 121.66 35.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 21.2 t-160 -80.41 104.64 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD21 ' A' ' 32' ' ' LEU . 3.2 t -86.66 118.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 138.12 49.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.78 38.88 4.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.59 -133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.68 -172.74 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.5 -23.99 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.67 65.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.96 147.41 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 167.68 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.582 ' HG2' HG23 ' A' ' 33' ' ' VAL . 30.3 tt0 -54.45 -56.11 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.12 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 69.5 m-20 -38.38 -32.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.9 mt -86.19 -47.95 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' HG2' ' A' ' 29' ' ' GLU . 73.7 t -53.85 -47.53 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -66.93 -8.19 27.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -29.13 10.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.1 mt -93.7 -44.96 7.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 20.4 pt-20 -44.07 -34.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -49.06 -25.48 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 50.4 m-85 -81.9 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.92 -126.59 0.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -104.97 146.33 29.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 37' ' ' GLU . 5.8 mt -111.47 125.41 68.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.1 -63.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 31.8 t80 -146.27 166.34 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.612 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.0 t -142.32 132.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.575 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.9 ttm -114.54 141.99 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.95 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.6 mtm -122.03 109.07 33.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.11 19.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -40.07 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -141.17 59.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.66 76.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 23' ' ' LEU . 10.0 mt-30 -139.11 -179.87 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.17 138.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD12 ' SD ' ' A' ' 46' ' ' MET . 11.0 mt -100.9 146.16 27.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 36' ' ' LEU . 71.8 t -133.23 102.41 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -88.57 94.61 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -67.87 158.17 33.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.4 tm-20 -42.38 -55.38 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.49 172.29 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 14' ' ' VAL . 21.0 tt -78.1 -16.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.89 -55.48 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -56.85 -44.29 81.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -46.89 -47.99 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -54.68 -56.64 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -43.29 -53.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 38.3 t -46.73 -60.66 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 18' ' ' VAL . 4.4 t -55.04 -71.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -38.36 -64.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 47.6 t80 -51.69 -39.24 57.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -81.82 4.64 21.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -107.02 -28.18 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -28.57 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 75' ' ' PRO . 79.4 t -118.58 141.49 29.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 141.34 26.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 t -132.71 131.65 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 35.6 m-85 -119.36 140.75 49.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.7 mm -111.45 115.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.83 33.3 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.0 10.03 86.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.12 122.48 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.7 tt0 -51.49 142.16 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.9 171.65 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -126.31 148.88 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.1 m-85 -131.62 125.45 32.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' HA ' HG13 ' A' ' 68' ' ' VAL . 8.6 m-80 -154.0 142.89 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.589 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.7 m-85 -45.08 138.74 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -84.45 162.71 19.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.1 p -64.35 -49.06 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.96 171.36 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.3 mmtm -95.06 -58.71 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 155.38 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.3 mt -76.2 132.3 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -72.01 129.58 38.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -95.35 156.28 37.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 111.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.24 -141.56 9.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.68 105.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 p -100.67 147.37 26.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -55.28 156.4 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.51 4.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.87 116.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 61.18 163.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -160.6 147.0 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.72 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -115.8 169.4 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.77 -159.72 33.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.46 142.49 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.45 113.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.9 134.18 3.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -157.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 67.1 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' SER . 27.2 m80 71.09 128.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -84.46 171.66 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.66 176.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 172.71 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG12 HD11 ' A' ' 61' ' ' ILE . 32.7 t -60.51 158.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 39.9 t -160.24 140.67 8.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 38.7 t -110.91 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG21 ' HE2' ' A' ' 58' ' ' PHE . 1.8 t -81.74 125.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.539 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 23.7 t-160 -80.52 104.94 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.559 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 32' ' ' LEU . 3.9 t -86.41 118.38 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -124.86 166.11 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 66.59 2.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.9 -176.73 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 179.37 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -85.22 -5.24 59.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 t -144.33 64.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.54 136.53 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.16 158.33 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.729 ' CG ' HG11 ' A' ' 45' ' ' VAL . 13.7 tt0 -47.21 -50.65 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -38.95 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.69 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.7 m-20 -40.91 -32.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.924 HD21 HG11 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -82.91 -44.88 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.698 HG23 ' HG2' ' A' ' 29' ' ' GLU . 69.7 t -53.81 -53.42 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -7.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.84 -6.94 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.812 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.7 mt -121.82 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.64 -27.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -58.84 -28.42 66.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 43.3 m-85 -79.43 -64.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.46 -138.26 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -98.87 143.87 28.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -103.79 127.0 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -78.45 -68.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 45' ' ' VAL . 49.0 t80 -142.94 155.55 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 29' ' ' GLU . 11.3 m -121.17 158.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.706 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttm -137.02 134.75 36.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.2 mmt -107.59 117.49 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.5 mtm -122.33 106.35 35.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.44 18.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.18 -64.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -139.01 37.33 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 55.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 19' ' ' HIS . 31.2 mt-30 -116.84 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -170.51 143.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' SD ' ' A' ' 46' ' ' MET . 24.2 mt -109.64 145.44 36.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CD1' ' A' ' 36' ' ' LEU . 18.3 t -133.26 97.67 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.1 tp10 -79.55 94.47 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 28.2 m-85 -64.54 152.14 42.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -42.04 -53.14 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.91 160.49 31.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.642 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -66.83 -37.84 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -41.93 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.7 m -60.39 -62.25 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -41.04 -51.4 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 14' ' ' VAL . 13.4 mtpt -41.49 -59.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.763 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -61.37 -45.76 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.9 m -53.45 -39.14 64.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.788 HG21 ' CE1' ' A' ' 87' ' ' TYR . 95.6 t -76.67 -70.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -39.7 -37.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CD1' HG13 ' A' ' 74' ' ' VAL . 23.8 t80 -70.39 -42.16 72.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -71.61 -4.06 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.25 -35.58 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -27.65 23.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -139.75 139.0 20.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.01 152.18 40.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.03 152.85 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 67.2 m-85 -132.89 137.82 46.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.642 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.4 mm -106.17 110.35 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 71.62 14.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.35 -16.94 48.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -89.62 143.36 26.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.6 tt0 -72.41 139.89 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -135.0 -177.21 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.84 134.44 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.637 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.2 m-85 -119.3 113.51 20.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.3 138.23 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.3 m-85 -40.69 144.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -95.82 144.94 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 89' ' ' THR . 44.6 p -53.35 -36.61 61.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.2 169.83 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -105.25 -42.87 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -120.46 149.06 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 33.7 mt -73.24 134.67 29.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.1 m -71.26 125.62 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -90.27 155.35 46.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 121.95 169.4 13.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 178.89 102.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 -62.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.51 165.5 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -120.15 148.18 43.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.34 155.61 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 64.73 -88.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.73 -56.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.88 75.94 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -125.76 100.52 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -151.1 81.72 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.09 120.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -145.16 160.05 42.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 109.982 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 -60.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 m80 62.05 88.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.92 65.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.57 140.76 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 p -104.28 177.56 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.743 HG12 HD11 ' A' ' 61' ' ' ILE . 17.2 t -55.66 159.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -155.33 141.74 13.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.98 -2.9 13.14 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 91' ' ' LYS . 22.1 t -116.92 109.24 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.3 t -84.63 123.99 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 22.7 t-160 -80.32 105.88 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.905 HG11 HD21 ' A' ' 32' ' ' LEU . 5.9 t -86.71 113.01 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.14 164.57 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.82 68.49 1.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.83 -175.59 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.17 153.85 21.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.41 -15.3 35.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.37 65.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.03 138.39 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.41 158.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.778 ' HG3' HG21 ' A' ' 45' ' ' VAL . 2.9 tt0 -47.27 -51.48 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -39.99 -67.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.755 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -41.04 -29.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -88.79 -42.91 11.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 29' ' ' GLU . 91.5 t -56.01 -50.94 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -7.55 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.714 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.96 3.01 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD13 HG11 ' A' ' 56' ' ' VAL . 5.2 mt -135.5 -42.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -46.38 -24.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -22.55 64.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 51.1 m-85 -82.15 -67.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.2 -121.92 0.88 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 m -118.45 141.5 48.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.456 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.8 mt -101.6 127.49 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 t -79.57 -69.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 45' ' ' VAL . 56.5 t80 -138.23 157.69 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 ' HG3' ' A' ' 29' ' ' GLU . 12.3 m -124.28 158.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.498 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -138.19 136.49 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mmt -106.71 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.616 ' HE1' HD21 ' A' ' 55' ' ' LEU . 31.1 mtm -115.63 113.13 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LYS . 18.0 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 57.96 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PRO . 4.9 mmtp -70.92 -8.57 53.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 59.56 44.02 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 75.1 mt-30 -96.81 172.0 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -162.13 138.9 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.4 mt -107.08 143.98 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.868 HG11 HD13 ' A' ' 36' ' ' LEU . 54.6 t -135.26 95.95 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -77.64 95.17 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.7 m-85 -63.73 152.77 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -43.8 -44.06 6.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 164.82 26.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD11 HG12 ' A' ' 14' ' ' VAL . 10.0 tt -69.13 -26.62 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -53.31 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -55.53 -52.06 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -44.08 -53.32 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.8 mtpt -56.7 -54.11 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.9 tp10 -43.35 -45.3 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 25.2 t -61.36 -54.94 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 87' ' ' TYR . 34.3 t -54.01 -71.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -40.64 -53.84 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 15.6 t80 -60.05 -34.5 73.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -80.07 3.11 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.71 -32.82 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.25 -31.71 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.5 p -135.0 138.39 29.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 148.34 35.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -127.85 153.7 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 81' ' ' GLN . 47.6 m-85 -134.11 134.5 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.714 HD13 ' CB ' ' A' ' 35' ' ' ALA . 5.7 mm -105.74 122.26 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.755 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 56.89 33.47 23.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.97 24.92 72.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.3 mm-40 -127.97 150.84 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.2 tp60 -77.71 139.04 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.47 174.88 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -128.6 144.32 51.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -124.81 116.23 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.57 139.52 28.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 68' ' ' VAL . 19.8 m-85 -44.22 143.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.96 144.79 26.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -51.07 -42.75 60.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.97 144.54 25.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.688 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -67.92 -52.0 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -107.04 154.79 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 71.6 mt -70.75 126.75 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.2 m -70.33 128.77 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -91.16 156.11 44.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.66 -154.49 12.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -133.57 162.92 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.3 t -144.58 139.91 28.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -148.89 173.62 28.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.14 42.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.2 t -136.88 116.86 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -112.47 153.99 26.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m 53.85 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -164.96 131.02 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.53 77.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 p -140.96 92.77 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -138.7 168.71 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.41 92.68 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.08 145.02 31.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -121.24 92.32 3.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -148.67 149.94 32.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 158.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG21 HG22 ' A' ' 89' ' ' THR . 70.1 t 62.75 138.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -127.28 112.64 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 61' ' ' ILE . 97.1 t 58.94 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 28.9 t -159.16 134.84 6.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' HG12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.3 t -126.87 101.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 HG22 ' A' ' 68' ' ' VAL . 1.5 t -80.89 120.21 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 15.7 t-160 -80.43 109.07 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 32' ' ' LEU . 7.8 t -86.02 116.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' NE ' ' CE1' ' A' ' 19' ' ' HIS . 13.2 mtt180 -113.64 173.93 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.64 64.34 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD21 ' CG1' ' A' ' 20' ' ' VAL . 49.3 mt -102.79 169.03 8.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -81.62 157.91 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -27.85 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.94 72.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -117.34 137.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.34 -179.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HG11 ' A' ' 45' ' ' VAL . 21.7 tt0 -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.66 -66.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . 7.7 m-20 -38.14 -35.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -84.37 -47.43 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 37' ' ' GLU . 71.3 t -54.71 -47.42 73.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -9.54 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.89 -39.05 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -84.29 -51.61 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 pp20? -40.16 -34.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -47.92 -25.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 52.2 m-85 -82.93 -70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.88 -121.69 0.95 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 m -112.26 148.05 34.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 36' ' ' LEU . 8.9 mt -112.82 123.06 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -60.22 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 24.8 t80 -145.36 164.44 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.631 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 81.0 t -140.41 117.65 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -100.38 137.15 39.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.85 119.11 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.1 mtm -111.15 106.57 57.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.63 17.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 14.1 mttt -130.52 58.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 44.69 61.61 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 6.3 mt-30 -125.43 166.69 16.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.2 141.07 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -103.25 142.15 34.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.624 HG21 ' CD1' ' A' ' 36' ' ' LEU . 53.7 t -128.18 98.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 2.0 tt0 -85.15 96.27 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.38 156.03 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.43 -48.34 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.01 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.863 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -51.1 -46.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ILE . 68.2 m-20 -38.82 -54.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -51.07 -45.72 61.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 14' ' ' VAL . 7.7 mtpt -58.26 -52.58 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.2 tt0 -51.49 -42.34 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 41.8 t -62.22 -63.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.63 HG21 ' CD1' ' A' ' 87' ' ' TYR . 70.6 t -50.55 -71.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 7.7 t -36.55 -52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 70.2 t80 -63.06 -41.51 99.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -81.5 5.1 18.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -107.66 -27.39 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.26 -27.4 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 75' ' ' PRO . 70.4 t -120.52 143.07 35.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.06 146.4 32.38 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 t -137.16 138.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 43.8 m-85 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.1 mm -114.46 106.2 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.6 14.05 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.28 -14.83 56.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.0 125.95 46.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -48.06 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.88 -175.12 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.76 148.31 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.658 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.8 m-85 -137.28 120.21 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -147.34 160.18 42.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.63 ' CD1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -62.66 133.15 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 17.4 t -93.71 139.15 31.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.509 HG22 HG21 ' A' ' 12' ' ' VAL . 10.4 p -84.73 45.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -123.76 -41.06 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.942 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER 82.42 -61.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.06 156.0 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 13.5 mt -100.45 120.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.9 m -50.75 136.92 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -95.29 156.11 38.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.58 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.89 86.0 1.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -97.63 149.7 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.18 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.69 120.22 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.79 42.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.7 m -127.53 101.87 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -125.31 93.49 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -89.77 141.12 28.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.3 123.67 0.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -173.89 110.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.99 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -159.05 154.85 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.954 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.5 73.43 0.23 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.71 88.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 91.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.641 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -122.67 45.02 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -131.72 73.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -145.16 145.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 p -109.47 171.91 7.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 61' ' ' ILE . 41.7 t -46.27 157.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -154.44 146.87 17.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -9.24 20.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 91' ' ' LYS . 21.2 t -112.24 108.03 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 68' ' ' VAL . 1.8 t -83.55 122.22 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -80.24 106.22 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 32' ' ' LEU . 5.4 t -86.75 123.82 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -128.23 161.29 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 53.17 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 78' ' ' ILE . 68.8 mt -97.88 170.14 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 162.68 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.63 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -115.66 77.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.53 148.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 -179.72 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.4 tt0 -65.79 -56.67 10.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.84 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -40.7 -30.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD21 HG11 ' A' ' 20' ' ' VAL . 2.2 mt -89.28 -42.93 11.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 29' ' ' GLU . 54.5 t -55.57 -49.28 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.96 -6.87 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.38 -23.95 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.889 HD13 HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -104.24 -51.65 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -39.59 -31.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.61 -24.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 53.0 m-85 -84.23 -67.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.68 -131.14 1.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -101.76 146.2 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.836 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.5 mt -111.62 111.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.7 t -60.74 -61.54 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 37.9 t80 -146.17 168.47 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 56' ' ' VAL . 92.9 t -144.45 131.13 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.565 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -115.0 139.25 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.99 126.94 52.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' A' ' 55' ' ' LEU . 66.4 mtm -121.38 106.33 38.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.26 21.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -41.9 -65.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 7.8 mttt -139.07 59.58 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? 42.04 59.85 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.4 mt-30 -120.69 171.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.87 139.59 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 3.9 mt -108.14 145.82 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.889 HG21 HD13 ' A' ' 36' ' ' LEU . 3.4 t -135.59 102.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.4 tt0 -84.12 94.48 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.43 159.25 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 60' ' ' ASN . 6.3 pt-20 -50.71 -38.33 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -137.49 176.28 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 14' ' ' VAL . 12.9 tt -83.94 -23.76 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.65 -41.73 99.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -37.03 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.39 -50.75 68.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 mtpm? -56.21 -54.08 49.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 4.5 tt0 -42.19 -43.43 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 44.1 t -63.39 -54.03 43.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 41.7 t -57.94 -70.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' LYS . 8.9 t -38.24 -50.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 34.8 t80 -66.22 -38.21 87.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.46 3.19 25.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -110.1 -26.93 9.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.76 -34.3 7.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.708 HG13 ' HD2' ' A' ' 75' ' ' PRO . 67.8 t -113.54 143.17 28.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.708 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 t -133.66 142.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 36.4 m-85 -130.23 140.49 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 23' ' ' LEU . 28.7 mm -108.21 109.16 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 67.84 35.95 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.52 24.34 73.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.86 119.13 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.554 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -46.47 142.05 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.12 170.46 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -116.33 156.11 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.624 ' HE1' HD21 ' A' ' 36' ' ' LEU . 95.5 m-85 -143.47 114.68 7.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.98 142.43 30.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 24.3 m-85 -45.47 152.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -117.81 148.06 42.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.8 p -88.48 41.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -116.53 -34.61 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 mmtt 68.85 -61.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -116.89 155.47 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' MET . 2.0 mt -111.23 145.71 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -80.21 128.35 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.645 ' HG3' ' N ' ' A' ' 96' ' ' PRO . 1.1 ttt180 -83.45 141.9 42.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.645 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.94 66.44 5.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.04 155.39 12.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -126.14 -56.64 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.3 78.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.91 86.33 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 161.84 37.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.6 124.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.5 m 56.8 166.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -130.59 121.43 25.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -48.02 -58.44 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.12 -166.57 35.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -83.73 151.61 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.06 169.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.78 114.77 4.32 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -117.24 111.32 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 108.59 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -131.06 156.94 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 139.14 37.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.91 148.99 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -80.0 163.48 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.668 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 10.1 t -42.82 161.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.461 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -154.9 132.87 6.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.96 -0.73 10.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 91' ' ' LYS . 46.8 t -119.95 103.88 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.0 t -81.82 126.11 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 20.9 t-160 -83.16 108.02 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.803 HG11 HD21 ' A' ' 32' ' ' LEU . 5.2 t -86.54 135.81 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -140.22 172.88 12.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 44.77 63.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD22 HG21 ' A' ' 78' ' ' ILE . 54.4 mt -85.83 168.48 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -73.55 165.98 24.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 108.308 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.95 -42.19 98.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.83 80.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.8 t -116.44 134.73 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.87 174.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG3' HG11 ' A' ' 45' ' ' VAL . 24.7 tt0 -56.5 -58.21 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.48 -66.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 22.6 m-20 -39.04 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HG11 ' A' ' 20' ' ' VAL . 2.6 mt -84.03 -46.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' GLU . 97.7 t -55.99 -52.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -13.69 14.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.9 -1.47 24.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -138.02 17.24 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.7 pp20? -96.83 -17.5 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' CE ' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.87 -26.18 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 33.3 m-85 -74.99 -59.03 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.06 -146.53 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -89.0 139.18 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.362 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.3 mt -100.36 112.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -61.22 -70.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 43.0 t80 -139.15 168.96 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 29' ' ' GLU . 71.9 t -143.03 116.83 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.484 ' HE2' HD12 ' A' ' 55' ' ' LEU . 1.3 tpp -96.39 138.48 33.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 120.16 37.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.1 mtm -116.31 106.77 48.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.16 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -122.38 45.01 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? 52.09 47.3 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 1.9 mt-30 -108.92 174.51 5.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.26 149.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 7.7 mt -109.36 144.29 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.695 HG21 HD13 ' A' ' 36' ' ' LEU . 42.1 t -129.85 100.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.68 95.92 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' HE2' HG21 ' A' ' 18' ' ' VAL . 35.7 m-85 -65.7 154.43 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.22 -41.68 62.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -134.19 143.18 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -54.52 -49.59 64.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-20 -38.39 -32.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -73.05 -56.44 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -42.94 -45.23 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -52.78 -57.74 9.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -43.72 -63.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 64' ' ' ALA . 4.9 t -52.26 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -39.16 -66.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' CE ' ' A' ' 38' ' ' LYS . 46.5 t80 -52.13 -35.32 47.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.11 7.64 18.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -109.28 -28.98 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.15 -32.63 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 75' ' ' PRO . 76.7 t -111.99 141.24 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.0 139.03 23.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.502 1.791 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -130.08 140.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -129.72 143.38 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' LEU . 42.1 mm -106.34 96.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 75.91 17.24 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.22 -21.3 31.43 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.411 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -91.09 129.62 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.15 144.73 57.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 23' ' ' LEU . . . -141.81 177.64 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.83 150.48 39.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.731 ' CE1' HD21 ' A' ' 36' ' ' LEU . 82.3 m-85 -135.46 124.36 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -153.68 159.22 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -62.98 132.28 51.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -81.53 133.56 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.5 p -41.26 -39.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 135.85 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.689 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -61.6 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -102.92 155.26 18.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.7 mt -71.44 140.53 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -78.69 129.33 34.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -101.2 152.85 38.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.26 31.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.32 -167.1 24.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.412 1.07 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -145.75 149.46 34.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.9 p -137.32 167.5 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.3 165.18 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 77.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.485 1.781 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.6 p -40.74 113.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 158.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -157.09 107.85 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -174.7 164.91 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.36 -168.3 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -59.09 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.35 170.5 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.36 149.61 6.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -69.14 173.44 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -157.5 120.91 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 14.8 t-160 52.81 46.26 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.55 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -115.95 63.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.33 170.91 12.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 m -75.75 -174.6 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.743 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 15.6 t -63.47 159.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 40.6 t -159.4 143.71 11.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.41 21.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.5 t -109.43 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.1 t -81.64 118.9 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.613 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 4.3 t-160 -80.04 107.46 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 32' ' ' LEU . 11.3 t -85.89 135.22 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -133.14 173.76 11.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.1 54.01 10.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -91.88 160.65 15.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.59 165.69 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -1.3 28.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 62.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 24' ' ' CYS . 3.2 t -109.99 132.54 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.28 164.03 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.4 tt0 -46.43 -60.89 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -36.78 -65.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.588 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 73.5 m-20 -39.74 -51.02 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -67.69 -40.41 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' GLU . 94.3 t -56.52 -43.19 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.98 -8.62 56.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.773 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -107.2 -11.68 15.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.7 mt -115.64 -44.98 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -50.84 -25.2 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.91 -15.89 36.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.1 m-85 -93.5 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -157.55 -129.96 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 m -102.02 148.55 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.2 mt -113.86 117.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.63 -64.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CE1' ' NH1' ' A' ' 95' ' ' ARG . 68.3 t80 -148.41 161.64 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.586 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.1 t -135.59 125.53 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.516 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -108.16 143.8 36.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 46' ' ' MET . 1.6 mmt -110.27 110.11 20.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -97.37 109.59 50.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -63.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -155.4 75.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 24' ' ' CYS . 5.0 mmp_? 43.28 43.06 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 7.1 tt0 -101.08 165.16 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.56 139.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.3 mt -110.97 139.1 46.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 36' ' ' LEU . 54.5 t -123.08 101.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -87.46 94.76 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -67.29 164.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -57.01 -46.9 81.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.9 163.17 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 14' ' ' VAL . 17.9 tt -72.44 -38.98 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.17 -45.29 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -59.66 -54.85 41.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -43.78 -45.89 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -51.45 -52.39 46.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.648 ' HA ' HG22 ' A' ' 69' ' ' THR . 5.4 tt0 -50.4 -54.05 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -50.1 -42.13 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 108.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' ALA . 99.0 t -70.75 -72.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.2 t -41.59 -37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.631 ' O ' HG13 ' A' ' 74' ' ' VAL . 16.1 t80 -67.19 -42.39 84.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.634 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -75.5 2.8 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.11 -30.11 8.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.61 -35.79 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -126.24 137.6 30.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.04 126.14 9.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.803 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.028 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -95.91 148.2 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.5 127.62 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.5 mm -104.34 105.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.588 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 64.73 38.09 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.11 31.2 57.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -143.55 116.91 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 17.4 tm0? -38.37 156.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -152.31 159.24 43.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -121.27 128.64 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 1.028 ' CE2' HG21 ' A' ' 76' ' ' VAL . 32.3 m-85 -115.41 116.78 28.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.77 138.96 34.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.743 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -41.56 148.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' THR . 2.8 t -112.97 101.62 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.4 t -37.29 -34.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -42.14 -51.25 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 86.49 -50.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.14 143.97 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' A' ' 46' ' ' MET . 23.1 mt -83.13 142.1 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -82.18 130.95 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.516 ' NH1' ' CE1' ' A' ' 44' ' ' TYR . 29.8 mmt180 -93.05 156.9 39.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.59 154.08 41.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.44 115.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.0 p -146.8 145.63 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.62 -158.48 23.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 91.43 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.7 m -118.13 130.83 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 m -70.24 -59.11 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.67 146.79 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.17 135.58 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.24 121.95 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -123.79 127.38 48.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.68 122.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.99 77.14 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t 179.3 119.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -122.77 146.72 47.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.1 149.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -146.75 164.0 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 p -58.65 179.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.817 HG21 ' HE3' ' A' ' 65' ' ' LYS . 18.7 t -71.18 159.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 12.9 t -156.31 143.19 13.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 -14.4 21.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 91' ' ' LYS . 14.9 t -106.58 110.16 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -84.82 126.68 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 23.8 t-160 -80.74 105.55 12.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.808 HG12 HD21 ' A' ' 23' ' ' LEU . 4.8 t -88.34 107.27 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.603 HH21 ' NE2' ' A' ' 53' ' ' GLN . 14.7 mtp180 -104.5 174.1 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.28 79.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.808 HD21 HG12 ' A' ' 20' ' ' VAL . 94.9 mt -118.76 179.81 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 158.84 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 2.1 tm-20 -62.6 -36.57 83.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -111.14 75.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 32' ' ' LEU . 2.8 t -109.5 143.54 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.6 m -133.9 162.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 33' ' ' VAL . 20.6 tt0 -41.69 -57.96 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -38.43 -64.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 71.2 m-20 -39.83 -48.17 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -68.46 -55.48 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' GLU . 59.9 t -47.64 -52.48 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -34.99 65.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB3' HD13 ' A' ' 78' ' ' ILE . . . -95.25 7.65 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.994 ' CD1' HG21 ' A' ' 56' ' ' VAL . 6.0 mt -143.15 22.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 pp20? -106.81 -30.59 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -60.31 -24.36 64.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.701 ' HE2' HD23 ' A' ' 36' ' ' LEU . 30.4 m-85 -73.2 -65.03 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.77 -121.65 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -107.01 150.0 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.822 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -114.14 111.72 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -59.37 -73.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 50.9 t80 -135.81 171.78 13.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.868 HG22 HG22 ' A' ' 56' ' ' VAL . 77.3 t -145.33 141.75 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.6 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.9 ttm -124.95 144.27 50.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.33 126.07 52.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.617 ' HE1' HD21 ' A' ' 55' ' ' LEU . 57.4 mtm -120.28 106.32 40.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.6 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.66 -68.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -135.14 48.49 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 1.5 mmt85 52.96 51.33 16.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.603 ' NE2' HH21 ' A' ' 21' ' ' ARG . 6.8 mt-30 -106.86 168.33 9.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -162.05 135.13 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.617 HD21 ' HE1' ' A' ' 48' ' ' MET . 20.9 mt -106.96 147.15 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.994 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.0 t -137.96 105.82 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -86.43 98.18 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HE2' HG21 ' A' ' 18' ' ' VAL . 39.6 m-85 -67.4 159.25 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.19 -49.48 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -124.91 169.15 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 14' ' ' VAL . 18.7 tt -80.95 -16.36 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -70.46 -32.36 69.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 m -72.07 -54.35 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.73 -48.12 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.817 ' HE3' HG21 ' A' ' 14' ' ' VAL . 13.0 mtpt -53.46 -53.03 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.6 tt0 -48.61 -44.49 37.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -61.31 -52.23 65.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 99.1 t -54.02 -70.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -44.78 -49.91 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.624 ' O ' HG13 ' A' ' 74' ' ' VAL . 60.8 t80 -52.06 -38.21 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.723 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -80.69 8.83 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -108.9 -32.2 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.86 -37.26 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -125.3 137.15 29.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.5 Cg_endo -74.95 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.121 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.29 150.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.08 125.27 30.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.821 HD12 HD12 ' A' ' 32' ' ' LEU . 3.4 mm -97.47 107.94 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 63.97 39.32 8.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.21 70.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -137.41 116.71 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -37.81 140.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -138.89 157.89 45.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.87 130.71 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 1.121 ' CE2' HG21 ' A' ' 76' ' ' VAL . 20.9 m-85 -113.57 112.48 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 135.67 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -43.44 141.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -90.96 155.78 18.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -55.17 -55.16 34.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.79 173.27 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -97.25 -61.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -101.75 155.55 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.6 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.1 mt -76.76 136.57 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 m -72.37 134.07 45.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -98.86 156.45 35.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 151.65 149.96 5.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.04 156.43 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -106.33 167.83 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.95 -178.88 17.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.48 3.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.59 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.73 107.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.6 81.16 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.14 152.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.67 -149.17 29.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -156.36 137.35 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.2 125.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.91 -155.66 27.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 t 48.57 96.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -121.6 -61.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -107.87 168.44 9.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -120.83 142.1 49.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 m -118.51 165.56 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -70.28 174.58 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.842 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 3.6 t -72.63 161.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.457 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 26.1 t -157.97 140.47 10.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.21 10.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.56 1.821 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.8 t -117.52 106.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 68' ' ' VAL . 1.8 t -81.64 126.91 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 15.1 t-160 -80.64 106.03 12.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HD21 ' A' ' 23' ' ' LEU . 4.6 t -87.37 118.67 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 1.5 mtt85 -123.37 162.74 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.13 55.25 28.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 78' ' ' ILE . 70.7 mt -94.33 -173.23 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -175.11 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.87 -35.22 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 77.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.28 135.03 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG22 ' OD2' ' A' ' 31' ' ' ASP . 22.8 m -117.75 167.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.531 ' HG3' HG11 ' A' ' 45' ' ' VAL . 15.5 tt0 -52.22 -57.21 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.28 -62.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' A' ' 28' ' ' VAL . 13.3 m-20 -39.68 -36.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.5 mt -83.13 -49.85 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' HA ' HD13 ' A' ' 42' ' ' ILE . 92.3 t -51.12 -57.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -14.79 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.97 -0.63 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 56' ' ' VAL . 1.8 mt -138.77 17.83 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -97.88 -16.86 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.07 -20.45 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 29.9 m-85 -80.95 -60.35 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.14 -152.02 7.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 m -85.32 137.97 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.6 mt -101.76 114.37 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -64.67 -70.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 28.2 t80 -138.39 166.04 25.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 62.2 t -141.81 125.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' ILE . 2.8 ttm -110.95 141.83 43.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.74 128.19 54.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.505 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.2 mtm -121.67 106.3 37.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.74 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.02 48.68 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.91 39.31 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -99.87 169.28 9.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' LEU . . . -165.19 150.69 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 46' ' ' MET . 16.0 mt -115.99 141.03 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 36' ' ' LEU . 65.6 t -128.31 98.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -80.92 94.87 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.1 m-85 -67.42 156.91 35.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.53 -49.85 66.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -119.33 154.1 34.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -66.94 -17.76 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.16 -44.55 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -56.52 -58.12 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -43.5 -46.06 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.964 ' O ' HG22 ' A' ' 69' ' ' THR . 10.4 mtpt -67.08 -38.02 84.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' SER . 5.1 tt0 -64.6 -35.26 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.7 t -69.74 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.6 m -34.89 -70.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.964 HG22 ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -39.43 -59.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' H ' HG23 ' A' ' 69' ' ' THR . 72.6 t80 -52.05 -35.55 47.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . . . -86.53 7.22 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -111.72 -28.07 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -29.28 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 75' ' ' PRO . 69.2 t -120.44 143.18 35.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.0 137.36 21.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.44 133.25 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -122.61 140.31 52.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.696 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 27.2 mm -107.42 96.23 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 84.06 14.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.95 -25.28 16.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 135.36 33.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.94 171.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.45 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -92.28 149.23 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CE1' HD21 ' A' ' 36' ' ' LEU . 59.7 m-85 -132.46 122.37 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -155.2 160.62 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.842 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.6 m-85 -62.43 131.46 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -85.35 137.2 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 89' ' ' THR . 69.6 p -45.6 -45.68 13.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.54 166.79 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -106.54 -43.97 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -122.64 152.06 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 46' ' ' MET . 21.9 mt -85.75 144.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -105.79 131.88 52.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -45.17 153.07 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 70.58 5.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.411 1.743 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.33 160.19 33.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -142.8 139.77 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.99 139.17 21.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.957 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.04 103.21 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.5 16.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -68.96 159.55 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.6 t -118.9 -54.48 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.29 -58.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.946 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -87.73 144.54 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.9 -171.74 17.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m 63.39 151.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -109.23 150.49 27.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.98 174.49 40.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -143.53 144.44 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -130.93 120.22 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.588 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -105.96 -67.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -168.77 113.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.7 t -128.0 157.64 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 m -115.02 161.6 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.811 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.0 t -45.9 159.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 41.8 t -153.45 141.77 14.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.99 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 92.3 t -114.69 104.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 68' ' ' VAL . 2.4 t -82.45 122.0 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -80.46 109.27 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 32' ' ' LEU . 6.9 t -86.96 124.87 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -122.48 167.69 13.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.41 56.4 22.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 mt -98.55 148.77 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -53.89 153.83 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -50.37 47.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -107.91 80.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.1 t -108.16 135.58 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 31' ' ' ASP . 15.6 m -112.39 168.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 23.7 tt0 -58.98 -54.39 47.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.17 -61.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 28' ' ' VAL . 5.3 m-20 -40.96 -29.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -91.13 -45.45 8.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.8 t -55.32 -50.21 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.23 -7.16 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.77 -21.41 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.5 mt -104.43 -41.16 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.3 pp20? -47.6 -23.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.29 -25.43 67.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m-85 -82.51 -67.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.95 -128.8 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.2 m -103.69 147.12 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -112.73 121.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.5 t -70.52 -63.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 108.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 54.3 t80 -145.64 171.26 14.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 84.0 t -144.28 130.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.447 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.4 tpp -114.63 139.42 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.54 126.1 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.432 ' CE ' HD21 ' A' ' 55' ' ' LEU . 41.4 mtm -120.11 108.51 38.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -13.72 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.72 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.4 43.67 2.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.6 mmt-85 56.48 46.02 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -102.97 169.68 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.46 138.0 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.5 mt -103.96 138.96 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 36' ' ' LEU . 49.2 t -125.34 97.08 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.1 tp10 -81.69 93.96 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.0 m-85 -66.85 161.18 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.24 -42.94 82.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.55 154.32 47.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 13.6 tt -64.69 -25.53 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m -60.47 -56.17 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.785 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -44.93 -41.2 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -69.85 -37.07 76.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' SER . 3.7 tp10 -62.62 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.603 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 49.5 t -68.77 -69.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.2 m -34.81 -71.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.3 t -37.68 -59.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 74' ' ' VAL . 36.8 t80 -51.19 -37.72 48.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.84 8.8 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -110.23 -30.96 7.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -35.7 9.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 70' ' ' PHE . 1.5 p -127.64 139.94 36.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.98 136.54 20.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -116.59 143.99 25.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -121.14 142.67 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.7 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.9 mm -116.62 96.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 83.94 26.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.11 -3.87 82.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -111.64 127.09 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -45.29 164.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 159.53 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.04 161.62 18.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 80.3 m-85 -145.21 112.84 6.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -141.54 133.87 28.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.811 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.4 m-85 -40.36 136.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -89.52 144.83 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.2 p -79.95 -11.33 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.4 p -73.57 -41.75 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER 83.15 -52.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -124.8 147.73 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 8.2 mt -84.34 134.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.5 m -71.35 131.01 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -95.59 155.94 38.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.99 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -55.57 162.3 5.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.65 135.02 37.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.1 t -167.66 145.79 4.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.85 86.57 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.77 17.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.01 136.92 54.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.53 -58.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.11 160.87 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.25 -57.23 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.85 -103.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -127.23 152.54 47.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -61.75 146.45 49.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 125.63 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.18 136.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.05 127.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.83 111.3 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.564 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.39 153.98 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 m -138.01 172.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.2 p -58.39 164.38 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.658 HG12 HD11 ' A' ' 61' ' ' ILE . 39.9 t -56.2 158.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -162.19 142.84 7.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 61.5 t -113.6 104.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 85' ' ' PHE . 2.2 t -82.16 126.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 19.7 t-160 -81.51 106.87 13.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 32' ' ' LEU . 4.0 t -86.65 137.27 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -146.13 159.92 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.1 67.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 32' ' ' LEU . 36.1 mt -93.45 153.17 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.86 160.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 108.279 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.84 99.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.5 81.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -116.4 159.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' N ' ' OD2' ' A' ' 31' ' ' ASP . 24.1 m -130.92 -165.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.75 ' HG3' HG11 ' A' ' 45' ' ' VAL . 26.1 tt0 -80.0 -57.87 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -35.77 -66.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.703 ' OD2' ' N ' ' A' ' 28' ' ' VAL . 1.8 p30 -36.01 -48.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 20' ' ' VAL . 3.0 mt -70.87 -48.54 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.0 t -49.78 -66.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -13.13 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -97.37 -2.7 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.946 HD13 HG11 ' A' ' 56' ' ' VAL . 3.0 mt -129.35 -37.79 1.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -45.64 -29.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -58.78 -28.85 66.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 33.0 m-85 -79.41 -69.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.33 -145.36 4.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -92.41 147.69 22.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.2 mt -111.46 132.47 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -64.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 59.3 t80 -140.09 170.42 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.75 HG11 ' HG3' ' A' ' 29' ' ' GLU . 59.8 t -141.1 114.06 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.758 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -96.01 133.91 39.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 111.05 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.88 123.81 47.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.6 mtm -123.82 107.32 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 -12.5 21.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.7 -57.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.98 41.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 56.75 42.32 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 4.3 mt-30 -103.16 177.92 4.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -174.23 143.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.7 mt -104.67 139.0 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.946 HG11 HD13 ' A' ' 36' ' ' LEU . 49.0 t -123.27 96.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 3.3 tp10 -78.15 95.38 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 30.6 m-85 -68.14 158.19 33.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.05 -49.84 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.24 161.93 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -71.07 -36.4 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.81 -42.33 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ALA . 2.7 m -62.83 -60.61 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -38.67 -52.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -42.74 -67.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -46.15 68.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.614 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 28.4 m -48.27 -49.05 34.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 64' ' ' ALA . 8.9 t -70.05 -67.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -39.29 -62.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 16.1 t80 -51.82 -32.51 31.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.76 8.41 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -113.47 -34.91 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -35.8 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -126.3 139.93 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.02 145.52 31.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.1 139.01 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.47 143.34 45.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.2 mm -106.6 105.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 75.43 6.66 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.09 -25.11 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.75 131.42 36.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.75 163.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.1 172.57 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.15 151.3 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE1' HD21 ' A' ' 36' ' ' LEU . 94.6 m-85 -136.79 124.93 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.71 138.3 20.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.658 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 23.1 m-85 -40.68 138.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 40.6 t -80.38 153.03 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.4 p -54.55 -54.09 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 173.92 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.5 mmtm -87.13 -72.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -94.56 155.25 16.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.758 HG23 ' HE2' ' A' ' 46' ' ' MET . 55.0 mt -71.22 141.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.0 m -71.92 128.81 36.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -95.46 154.09 39.4 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 97.13 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.7 175.61 0.64 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -150.97 125.32 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.787 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 p -85.2 142.68 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.54 170.24 23.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.72 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.7 p -158.12 166.19 33.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 63.1 137.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.18 165.55 11.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -59.75 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.4 142.49 9.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 p -68.38 151.83 46.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.034 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.12 156.69 19.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.35 134.84 3.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -119.12 -65.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 80.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -91.9 -68.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.14 62.21 2.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -127.77 140.99 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m -106.91 168.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.783 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 7.8 t -48.87 159.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 3.5 t -159.61 142.02 9.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.5 t -117.29 102.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG13 HG13 ' A' ' 68' ' ' VAL . 2.3 t -81.4 123.08 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.6 107.81 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 4.8 t -86.17 128.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -127.4 163.26 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 62.61 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.75 161.34 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -63.44 167.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -14.32 61.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -140.15 74.26 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.2 t -105.91 145.35 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.547 HG23 ' H ' ' A' ' 31' ' ' ASP . 33.5 m -120.27 169.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 33' ' ' VAL . 37.2 tt0 -59.97 -55.27 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.19 -61.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.547 ' H ' HG23 ' A' ' 28' ' ' VAL . 11.2 m-20 -41.56 -29.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HG ' HG21 ' A' ' 78' ' ' ILE . 1.3 mt -92.36 -42.95 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.3 t -53.76 -53.11 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.99 -6.63 29.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.622 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.23 -14.09 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 2.0 mt -114.14 -40.32 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 pp20? -47.67 -26.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -58.92 -20.54 52.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 54.5 m-85 -88.6 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.16 -135.44 1.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 m -98.97 140.95 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -104.75 116.04 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.07 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 53.9 t80 -151.8 163.21 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG11 ' HG3' ' A' ' 29' ' ' GLU . 97.9 t -136.31 131.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.621 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.1 ttp -118.1 141.36 48.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.7 129.72 53.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.552 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -114.47 111.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -74.99 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 49.1 m-85 -151.26 127.92 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt 44.6 30.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 45.93 94.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.8 mt-30 -142.98 169.85 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 140.2 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HE3' ' A' ' 48' ' ' MET . 6.2 mt -105.43 136.81 44.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 36' ' ' LEU . 51.4 t -124.31 96.56 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -81.22 94.47 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 29.4 m-85 -67.46 157.84 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.09 -48.86 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.33 162.1 22.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.726 HD11 HG12 ' A' ' 14' ' ' VAL . 15.7 tt -69.6 -25.06 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.12 -53.79 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.583 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m -46.39 -56.04 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.969 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -47.16 -44.98 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.904 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER -70.24 -37.48 74.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.612 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -68.23 -64.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -39.37 -72.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.5 t -37.5 -58.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.448 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 66.9 t80 -50.91 -39.79 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.82 8.67 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.48 -27.95 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -31.82 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 75' ' ' PRO . 75.9 t -116.86 140.61 27.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.0 133.47 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.47 133.85 67.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -122.07 135.63 54.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.7 mm -108.27 116.45 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 73.94 6.44 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.83 -22.58 18.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -93.29 145.25 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.21 161.12 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.91 165.37 15.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.614 ' HE1' HD21 ' A' ' 36' ' ' LEU . 84.1 m-85 -149.24 112.9 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.13 136.42 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.783 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.8 m-85 -41.2 143.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -106.1 150.52 25.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.7 p -94.07 31.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -110.62 -26.72 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.7 mmtt 67.8 -67.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mtt180 -111.44 155.39 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 46' ' ' MET . 11.6 mt -94.12 133.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.1 m -62.01 135.15 57.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -94.54 154.17 40.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -53.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 60.25 -164.26 15.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 177.77 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -128.42 123.17 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.31 89.89 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.04 22.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.12 126.96 52.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 p -72.33 -60.55 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.713 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 24.5 t -52.59 159.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 33.9 t -158.12 144.49 12.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.0 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.9 t -119.53 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 68' ' ' VAL . 2.2 t -83.15 123.08 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.08 107.82 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.634 HG11 HD21 ' A' ' 32' ' ' LEU . 5.7 t -86.89 126.05 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -133.44 156.67 47.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.48 49.23 26.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 78' ' ' ILE . 81.6 mt -96.39 172.57 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.5 165.59 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -31.57 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.9 m -118.82 77.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.46 142.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -119.18 178.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.2 tt0 -67.12 -46.68 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -49.99 -61.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -40.56 -40.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -79.47 -41.75 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.5 t -56.67 -47.88 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.46 -7.14 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.513 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.47 -23.65 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -103.07 -45.22 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.6 pp20? -45.14 -29.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -54.33 -24.75 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 58.1 m-85 -83.93 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.75 -130.72 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -100.39 147.41 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.9 mt -112.58 118.88 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -68.34 -61.86 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 41.5 t80 -148.75 168.13 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.557 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 70.7 t -143.44 135.47 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 55' ' ' LEU . 3.1 ttm -118.76 141.43 48.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.96 132.75 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' ' HG ' ' A' ' 55' ' ' LEU . 2.9 mpp? -124.25 106.8 30.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -133.52 59.33 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.2 OUTLIER 42.16 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.8 mt-30 -128.24 171.23 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.55 146.45 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 46' ' ' MET . 12.4 mt -107.35 145.42 32.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 63.1 t -131.3 99.86 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.62 95.04 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 24.8 m-85 -68.27 160.29 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.48 -50.76 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.2 163.52 26.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -64.76 -27.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -55.65 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -53.4 -55.02 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.39 -51.17 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.3 mtpt -55.71 -56.05 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -41.27 -44.78 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 48.6 t -62.06 -55.74 25.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 36.8 t -54.62 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -39.92 -53.89 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' HG23 ' A' ' 69' ' ' THR . 16.6 t80 -61.76 -34.63 76.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -82.48 5.88 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.71 -33.07 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -33.09 16.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -132.84 139.19 33.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.03 148.74 35.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.81 146.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 28.5 m-85 -123.14 138.36 54.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 23' ' ' LEU . 17.8 mm -102.26 120.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 54.94 36.07 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.31 29.06 62.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.14 120.67 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.8 tp60 -44.92 142.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.11 174.71 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -132.31 138.7 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.655 ' HE1' HD21 ' A' ' 36' ' ' LEU . 96.8 m-85 -122.93 115.42 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.74 140.45 33.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.713 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 20.1 m-85 -45.28 127.98 7.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -71.31 160.42 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.2 p -64.81 -55.1 21.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.31 170.93 14.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.3 mmtt -95.94 -41.51 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -122.15 152.25 40.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' MET . 59.9 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 65' ' ' LYS . 43.3 t -72.59 155.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -152.71 141.37 14.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.6 t -118.97 106.25 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG13 HG22 ' A' ' 68' ' ' VAL . 2.0 t -82.91 122.04 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -81.76 108.03 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 32' ' ' LEU . 5.6 t -86.46 126.71 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.509 HH21 ' NE2' ' A' ' 53' ' ' GLN . 6.3 mtp180 -129.44 152.51 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.65 63.39 2.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' C ' ' NE2' ' A' ' 81' ' ' GLN . 98.6 mt -110.94 159.9 17.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.0 t -62.2 168.4 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.0 -0.24 23.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 62.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 24' ' ' CYS . 1.9 t -104.3 137.13 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' LEU . 13.1 m -110.96 -178.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.1 tt0 -68.61 -55.47 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.53 -63.41 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.6 -31.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -88.84 -42.87 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.4 t -54.05 -52.76 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.42 -7.17 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.621 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -104.18 -13.31 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.754 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -115.11 -38.94 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -48.8 -28.57 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.25 -21.92 26.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 47.9 m-85 -87.25 -61.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.21 -134.6 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.8 m -97.46 147.24 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.5 mt -112.24 116.14 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.0 -62.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.351 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 44.6 t80 -150.82 165.66 32.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG11 ' HG3' ' A' ' 29' ' ' GLU . 92.7 t -140.28 124.3 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.531 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.3 ttp -104.62 139.01 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.36 109.19 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.39 111.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 55.71 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.555 1.818 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 38.6 m-85 -152.24 128.79 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 50.88 22.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? 48.67 82.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' NE2' HH21 ' A' ' 21' ' ' ARG . 19.8 mt-30 -134.43 175.12 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.97 139.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.0 mt -101.26 142.45 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.531 HG11 HD13 ' A' ' 36' ' ' LEU . 62.4 t -128.11 98.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -85.7 94.86 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 28.8 m-85 -66.94 165.04 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.21 -52.7 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.35 167.2 12.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 HG12 ' A' ' 14' ' ' VAL . 15.2 tt -77.09 -17.06 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.78 -38.06 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -66.56 -53.85 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -41.68 -49.87 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 14' ' ' VAL . 16.5 mtpt -55.53 -56.7 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -41.58 -45.3 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 47.9 t -61.87 -52.69 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 87' ' ' TYR . 47.4 t -57.5 -71.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 70' ' ' PHE . 10.2 t -39.0 -53.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.512 ' N ' HG23 ' A' ' 69' ' ' THR . 52.4 t80 -62.6 -37.74 87.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -82.25 4.4 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -108.16 -29.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.84 -33.06 7.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 75' ' ' PRO . 56.0 t -114.17 138.91 23.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.0 139.59 24.46 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.6 138.85 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -122.44 137.87 54.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.9 mm -113.3 109.27 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.53 37.85 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.03 24.97 74.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 23' ' ' LEU . 3.9 tt0 -137.93 121.23 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.45 159.11 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.6 168.27 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -115.34 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.6 m-85 -120.16 120.99 37.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -143.09 166.52 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.4 m-85 -70.33 141.79 52.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -103.89 130.17 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.6 p -76.68 57.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -133.49 -45.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 90' ' ' SER . 5.6 tptt 84.58 -54.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 144.37 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 46' ' ' MET . 12.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 24.5 t -47.1 159.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 45.5 t -158.84 143.05 11.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.97 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.3 t -119.11 108.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 68' ' ' VAL . 1.7 t -82.46 122.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 15.3 t-160 -80.3 104.53 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 3.4 t -86.59 117.86 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 135.01 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.1 36.44 4.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.19 -132.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.48 -171.09 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -37.99 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 46.8 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.12 135.59 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.94 172.71 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.8 tt0 -54.77 -58.72 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.57 -65.08 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.9 m-20 -39.11 -33.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 78' ' ' ILE . 3.1 mt -86.34 -45.59 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 37' ' ' GLU . 65.6 t -54.93 -48.69 74.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -7.72 23.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.23 -25.51 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD1' HG21 ' A' ' 56' ' ' VAL . 1.3 mt -100.09 -46.03 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 33' ' ' VAL . 16.3 pt-20 -41.33 -37.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -43.83 -28.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 46.4 m-85 -80.85 -67.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -135.88 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 152.65 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 37' ' ' GLU . 6.2 mt -119.95 113.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t -62.63 -63.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.07 169.4 18.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 ' HG3' ' A' ' 29' ' ' GLU . 77.2 t -144.63 121.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -105.82 140.95 38.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.71 122.47 46.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.732 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.1 mtm -119.95 106.23 41.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.803 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.3 t80 75.36 -62.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.8 mttt -109.64 24.49 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 37.94 78.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 11.4 mt-30 -132.21 -179.8 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.13 138.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.732 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -100.9 146.78 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 36' ' ' LEU . 66.6 t -132.47 100.8 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -87.58 94.77 9.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 31.8 m-85 -68.64 163.17 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -48.21 -53.14 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.67 166.08 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 19.3 tt -69.31 -24.01 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.61 -49.67 75.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -52.77 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.07 -49.62 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -56.53 -53.15 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.1 tp10 -43.2 -43.42 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 51.6 t -62.98 -58.38 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 18' ' ' VAL . 85.6 t -52.95 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 70' ' ' PHE . 13.3 t -39.04 -53.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 69' ' ' THR . 39.4 t80 -62.18 -35.61 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -78.71 2.8 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.17 -31.05 7.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -31.17 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -134.88 139.96 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.05 149.55 36.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.08 149.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -127.95 142.55 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 36.4 mm -108.02 119.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.64 14.29 9.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.11 -16.64 49.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 17.1 mm100 -88.2 159.31 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.8 tp60 -80.7 138.6 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.53 167.97 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -120.68 169.6 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.581 ' HE1' HD21 ' A' ' 36' ' ' LEU . 87.7 m-85 -149.1 117.49 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 140.1 24.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.0 m-85 -41.24 145.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.5 t -96.93 135.74 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.3 p -43.68 -41.42 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.22 170.49 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.8 tptt -106.11 -48.88 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 3.2 ttt180 -120.66 142.36 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.0 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 38.8 t -44.26 158.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 41.4 t -161.58 140.76 7.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.622 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -5.81 17.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.9 t -113.24 106.21 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 68' ' ' VAL . 1.9 t -85.82 122.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -80.55 108.68 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.552 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 6.6 t -86.58 132.67 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -131.15 172.61 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.29 61.24 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.89 -177.28 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.81 -173.54 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -42.46 15.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -113.63 73.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG21 ' H ' ' A' ' 24' ' ' CYS . 3.9 t -106.06 133.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.1 m -116.98 176.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG3' HG11 ' A' ' 45' ' ' VAL . 14.4 tt0 -57.45 -59.53 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.1 -62.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 15.3 m-20 -39.63 -37.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -83.13 -51.12 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 42' ' ' ILE . 69.7 t -49.22 -57.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -14.55 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.617 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -0.68 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.806 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.9 mt -139.8 18.82 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -98.14 -17.82 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -23.94 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 46.8 m-85 -77.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.93 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 m -87.54 136.62 32.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.7 mt -99.13 112.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -58.96 -71.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -137.75 170.35 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.5 t -144.06 113.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.455 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -99.72 137.63 37.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.75 110.6 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.603 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.3 mtm -100.7 108.05 51.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -146.26 130.0 17.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp 43.95 30.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 47.02 84.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.9 mt-30 -142.88 173.38 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 156.21 6.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt -116.06 137.78 51.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 36' ' ' LEU . 38.1 t -124.54 96.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -81.23 95.16 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 22.8 m-85 -66.15 156.16 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -52.43 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.22 171.9 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 16.5 tt -81.27 -36.23 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -51.3 -29.24 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -73.8 -59.7 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.9 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -42.08 -59.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 69' ' ' THR . 1.6 tp10 -61.35 -45.13 95.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -52.55 -39.79 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.534 HG21 ' CE1' ' A' ' 87' ' ' TYR . 74.2 t -76.12 -71.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -38.08 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD1' HG13 ' A' ' 74' ' ' VAL . 17.8 t80 -68.42 -46.74 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -66.1 -9.1 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.3 -39.97 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.36 40.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.604 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.0 p -143.56 140.08 17.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.87 153.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.466 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.4 m-85 -132.75 137.69 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.617 HD13 ' CB ' ' A' ' 35' ' ' ALA . 16.8 mm -106.0 107.72 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 71.82 26.63 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.55 -3.86 85.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -107.79 122.98 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.466 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 6.9 tm0? -47.9 165.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.39 160.82 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 15.8 m-85 -112.14 146.69 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 86.1 m-85 -131.49 118.05 19.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.12 149.89 35.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.0 m-85 -49.43 148.16 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' SER . 5.4 m -112.66 102.56 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.33 -31.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 1.2 m -43.38 -52.41 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' SER . 14.5 tptt 85.39 -49.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.74 148.28 46.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 46' ' ' MET . 14.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.754 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.3 t -43.5 161.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.44 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 14.7 t -154.68 143.9 15.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 91' ' ' LYS . 48.6 t -108.39 111.13 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -85.94 128.44 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.81 106.54 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 23' ' ' LEU . 3.5 t -86.38 126.25 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -130.33 165.32 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.27 54.91 33.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 20' ' ' VAL . 42.5 mt -97.37 160.21 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -62.09 172.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 108.32 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.49 -46.88 62.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.51 80.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.6 t -114.62 146.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.569 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.5 m -125.01 -174.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HG3' HG11 ' A' ' 45' ' ' VAL . 19.3 tt0 -69.59 -60.92 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -38.9 -65.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.57 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 12.3 m-20 -37.9 -40.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.3 mt -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.6 t -51.03 -48.95 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -16.29 27.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.05 -0.04 25.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.842 HD21 ' CZ ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -137.57 17.55 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.8 pp20? -100.15 -18.22 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -22.95 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 27.9 m-85 -76.92 -64.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.49 -135.96 1.97 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -95.94 143.77 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -107.72 113.04 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.0 t -62.76 -71.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -135.94 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 29' ' ' GLU . 61.2 t -144.85 111.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HE1' HG23 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -96.01 138.26 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 132.86 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.521 ' HE1' ' N ' ' A' ' 54' ' ' ALA . 1.8 mpp? -123.96 106.96 31.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -9.97 21.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -45.88 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -132.69 45.13 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? 54.05 43.17 31.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 18.4 mt-30 -104.01 170.98 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.521 ' N ' ' HE1' ' A' ' 48' ' ' MET . . . -169.86 146.86 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.9 mt -106.73 147.5 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 36' ' ' LEU . 55.2 t -132.06 100.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.2 tp10 -84.67 95.8 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 25.2 m-85 -68.22 163.11 23.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.5 -45.23 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 166.78 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 19.2 tt -75.37 -12.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -74.14 -25.92 60.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.3 m -80.07 -56.76 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.14 -43.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -59.79 -61.41 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -39.05 -45.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 23.8 t -57.28 -60.01 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 64' ' ' ALA . 14.0 t -48.37 -71.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 5.7 t -42.04 -54.04 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.612 ' O ' HG13 ' A' ' 74' ' ' VAL . 13.9 t80 -53.85 -40.33 66.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -79.14 6.52 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -105.49 -32.01 8.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -34.76 11.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -127.29 135.04 26.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.91 8.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.107 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.39 150.18 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.94 128.98 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 32' ' ' LEU . 25.8 mm -97.73 107.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 59.42 36.18 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.84 39.34 20.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 116.09 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.3 tt0 -43.63 143.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -140.05 156.8 46.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -114.1 129.18 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 1.107 ' CE2' HG21 ' A' ' 76' ' ' VAL . 19.0 m-85 -114.72 113.57 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 58.0 m-80 -134.74 164.38 27.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.754 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.2 m-85 -72.1 125.98 28.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -83.77 115.5 22.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.9 p -53.46 -21.97 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -63.97 -25.66 68.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.7 mmtm 69.52 -62.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 22.9 mmt85 -113.54 153.85 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 46' ' ' MET . 20.0 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 ' HD3' ' A' ' 65' ' ' LYS . 2.8 t -53.04 164.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 43.4 t -161.09 135.66 5.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.3 Cg_endo -74.98 -7.01 18.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' LYS . 57.2 t -113.77 103.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -81.95 123.15 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 15.0 t-160 -80.55 106.74 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 32' ' ' LEU . 2.9 t -86.54 118.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 19' ' ' HIS . 2.1 mtt180 -119.19 169.77 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.02 68.61 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -86.75 174.69 8.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -9.14 59.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.53 71.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -108.84 150.68 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 31' ' ' ASP . 28.4 m -127.76 178.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.4 tt0 -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.98 -63.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' H ' HG23 ' A' ' 28' ' ' VAL . 34.6 m-20 -40.17 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD21 HG11 ' A' ' 20' ' ' VAL . 2.7 mt -90.78 -43.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 29' ' ' GLU . 52.5 t -53.91 -50.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.51 -7.94 29.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.28 -11.5 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.4 mt -114.89 -37.15 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -49.45 -23.76 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -14.82 52.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 49.9 m-85 -96.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.71 -151.1 6.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -82.39 147.12 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.1 mt -110.99 115.04 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -66.15 -58.36 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -151.43 166.53 30.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 HG11 ' HG3' ' A' ' 29' ' ' GLU . 72.8 t -142.76 124.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.624 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -108.58 141.85 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.45 132.28 54.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.3 mtm -124.14 106.54 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 -17.01 19.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.29 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.18 54.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.17 74.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.0 mt-30 -139.07 170.26 16.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.94 145.19 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.9 mt -106.47 145.93 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 36' ' ' LEU . 56.0 t -130.87 100.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -85.94 94.52 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.605 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m-85 -67.35 155.03 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.27 -54.93 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -120.8 165.85 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.831 HD11 HG12 ' A' ' 14' ' ' VAL . 21.3 tt -73.83 -35.57 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -48.44 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 3.3 m -52.39 -61.32 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . . . -41.32 -56.4 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HD3' HG21 ' A' ' 14' ' ' VAL . 20.0 mtmt -39.76 -57.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.762 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -61.91 -43.6 98.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.605 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.2 m -55.04 -38.89 68.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 87' ' ' TYR . 99.5 t -76.55 -69.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.762 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -40.19 -37.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 11.9 t80 -70.76 -40.83 72.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.64 0.39 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.59 -31.52 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -29.3 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -136.89 138.78 26.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 151.98 40.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.22 149.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.7 m-85 -126.37 136.72 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.606 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -105.56 114.7 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.12 35.72 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.97 19.81 79.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.86 121.78 28.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.4 tp60 -48.13 143.74 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.32 176.98 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -131.42 145.51 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.675 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.9 m-85 -132.41 115.41 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.25 27.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.703 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -42.96 135.81 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -85.82 157.88 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.7 p -61.49 -49.34 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -74.37 176.41 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -105.23 -45.29 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 2.7 ptt85 -124.08 149.46 46.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.624 HG21 ' HB2' ' A' ' 46' ' ' MET . 58.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.4 t -59.94 161.45 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 28.8 t -157.93 144.5 12.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.08 17.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 53.3 t -113.57 104.29 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.8 t -82.19 122.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.58 108.11 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.682 HG11 HD21 ' A' ' 32' ' ' LEU . 3.7 t -86.1 130.53 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -133.73 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.53 68.35 0.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -106.31 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.13 -174.85 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 -34.49 22.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 76.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' CB ' ' A' ' 24' ' ' CYS . 19.5 t -108.79 144.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -127.89 161.69 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.6 tt0 -43.82 -56.81 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -43.04 -63.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -42.17 -29.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.682 HD21 HG11 ' A' ' 20' ' ' VAL . 1.5 mt -90.98 -40.67 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 37' ' ' GLU . 89.6 t -55.82 -45.17 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -7.76 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.76 -15.33 14.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -114.15 -48.52 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.65 -30.02 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -55.81 -18.4 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.2 m-85 -91.45 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.5 -134.43 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m -100.39 146.67 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.802 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.6 mt -112.76 120.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.1 t -68.91 -63.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 56.9 t80 -145.66 166.98 24.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 76.4 t -141.85 128.24 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -114.56 133.58 55.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.2 135.88 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -123.67 106.29 32.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.04 9.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -53.41 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.58 56.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.23 74.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 36.2 mt-30 -142.64 173.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -173.6 147.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.3 mt -104.58 142.5 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 36' ' ' LEU . 61.9 t -126.95 97.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -82.97 94.95 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.2 m-85 -67.97 158.36 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.22 -36.75 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -135.84 154.61 51.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 HG12 ' A' ' 14' ' ' VAL . 16.4 tt -64.5 -35.52 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -52.95 -42.35 65.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.489 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 16.9 m -61.98 -53.74 51.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -45.55 -44.06 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 14' ' ' VAL . 27.9 mtpt -58.33 -60.86 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 7.1 tt0 -39.22 -44.6 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 85' ' ' PHE . 36.3 t -59.42 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' CE1' ' A' ' 87' ' ' TYR . 21.0 t -51.09 -71.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 7.6 t -40.74 -52.05 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 74' ' ' VAL . 17.1 t80 -54.37 -37.75 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -76.08 2.55 12.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -106.82 -30.05 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -35.53 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -127.81 134.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.067 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -91.75 145.82 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -134.68 125.88 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 21.1 mm -93.52 97.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.76 9.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.08 -22.53 12.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -85.39 132.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 2.0 tp60 -49.65 142.01 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -134.85 163.07 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 3.4 m-85 -128.77 131.88 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 1.067 ' CE2' HG21 ' A' ' 76' ' ' VAL . 30.0 m-85 -120.08 121.0 37.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.34 163.14 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.892 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.2 m-85 -69.23 144.82 53.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 t -118.62 128.69 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.6 p -74.89 56.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -43.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 12.5 mmtm 72.03 -60.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 7.0 ttt180 -105.1 144.61 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 24.5 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.711 HG12 HD11 ' A' ' 61' ' ' ILE . 24.1 t -58.79 158.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 t -157.3 142.6 12.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.96 -13.17 21.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 91' ' ' LYS . 54.5 t -109.05 105.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.37 124.91 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -81.96 110.53 17.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 32' ' ' LEU . 6.0 t -86.63 127.92 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -124.69 172.33 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.52 71.25 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -107.11 173.65 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -80.42 -174.84 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -41.61 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.22 69.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -103.2 136.99 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 31' ' ' ASP . 34.3 m -121.58 163.4 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' HG23 ' A' ' 33' ' ' VAL . 26.4 tt0 -49.57 -57.52 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.77 -63.01 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 28' ' ' VAL . 17.4 m-20 -40.17 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -90.17 -42.87 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 29' ' ' GLU . 40.1 t -54.22 -54.16 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.12 -7.21 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.643 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -103.63 -13.58 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.2 mt -115.93 -40.38 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.1 pp20? -44.2 -33.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' CE ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.18 -27.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 34.5 m-85 -82.62 -65.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.42 -140.09 2.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -91.52 152.39 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -118.08 113.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -62.48 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 51.7 t80 -146.53 171.04 15.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.3 t -145.23 122.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -104.98 138.92 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.88 121.96 45.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.667 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.2 mtm -121.12 106.41 38.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.07 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.1 t80 72.18 -60.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -106.34 20.68 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.0 60.15 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.79 174.25 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.54 140.38 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.7 mt -101.49 144.6 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 36' ' ' LEU . 55.1 t -130.04 99.75 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -84.98 94.76 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.32 161.69 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -51.72 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.38 172.55 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.711 HD11 HG12 ' A' ' 14' ' ' VAL . 19.8 tt -82.17 -9.76 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.95 -41.45 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -52.99 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.59 -49.68 2.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -52.62 -52.7 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -47.26 -50.68 20.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.8 t -49.78 -54.24 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.4 t -58.72 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -40.14 -62.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 30.8 t80 -52.58 -33.02 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.26 9.2 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -112.76 -31.63 6.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -36.33 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.2 p -127.32 138.72 33.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 147.41 33.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.5 138.62 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 25.7 m-85 -120.25 146.83 45.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.0 mm -111.09 118.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.17 34.49 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.89 35.55 49.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.39 123.38 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -50.07 143.92 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.4 174.74 10.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 52.9 m-85 -128.75 144.69 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 91.1 m-85 -129.43 112.2 13.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -140.74 136.39 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.724 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.3 m-85 -44.01 130.93 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -73.04 158.38 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -65.06 -40.15 94.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.78 169.01 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.5 mmtt -87.48 -71.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 11.0 mtm105 -101.22 155.04 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 46' ' ' MET . 56.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.589 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 38.0 t -50.38 159.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.2 t -158.05 143.9 12.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.2 t -114.72 106.28 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 68' ' ' VAL . 1.6 t -81.71 121.66 35.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 21.2 t-160 -80.41 104.64 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD21 ' A' ' 32' ' ' LEU . 3.2 t -86.66 118.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 138.12 49.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.78 38.88 4.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.59 -133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.68 -172.74 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.5 -23.99 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.67 65.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.96 147.41 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 167.68 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.582 ' HG2' HG23 ' A' ' 33' ' ' VAL . 30.3 tt0 -54.45 -56.11 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.12 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 69.5 m-20 -38.38 -32.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.9 mt -86.19 -47.95 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' HG2' ' A' ' 29' ' ' GLU . 73.7 t -53.85 -47.53 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -66.93 -8.19 27.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -29.13 10.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.696 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.1 mt -93.7 -44.96 7.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 20.4 pt-20 -44.07 -34.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -49.06 -25.48 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 50.4 m-85 -81.9 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.92 -126.59 0.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -104.97 146.33 29.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 37' ' ' GLU . 5.8 mt -111.47 125.41 68.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.1 -63.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 31.8 t80 -146.27 166.34 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.612 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.0 t -142.32 132.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.575 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.9 ttm -114.54 141.99 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.95 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.6 mtm -122.03 109.07 33.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.11 19.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -40.07 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -141.17 59.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.66 76.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 23' ' ' LEU . 10.0 mt-30 -139.11 -179.87 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.17 138.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD12 ' SD ' ' A' ' 46' ' ' MET . 11.0 mt -100.9 146.16 27.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 36' ' ' LEU . 71.8 t -133.23 102.41 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -88.57 94.61 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -67.87 158.17 33.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.4 tm-20 -42.38 -55.38 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.49 172.29 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 14' ' ' VAL . 21.0 tt -78.1 -16.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.89 -55.48 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -56.85 -44.29 81.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -46.89 -47.99 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -54.68 -56.64 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -43.29 -53.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 38.3 t -46.73 -60.66 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 18' ' ' VAL . 4.4 t -55.04 -71.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -38.36 -64.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 47.6 t80 -51.69 -39.24 57.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -81.82 4.64 21.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -107.02 -28.18 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -28.57 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 75' ' ' PRO . 79.4 t -118.58 141.49 29.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 141.34 26.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 t -132.71 131.65 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 35.6 m-85 -119.36 140.75 49.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.7 mm -111.45 115.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.83 33.3 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.0 10.03 86.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.12 122.48 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.7 tt0 -51.49 142.16 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.9 171.65 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -126.31 148.88 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.1 m-85 -131.62 125.45 32.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' HA ' HG13 ' A' ' 68' ' ' VAL . 8.6 m-80 -154.0 142.89 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.589 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.7 m-85 -45.08 138.74 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -84.45 162.71 19.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.1 p -64.35 -49.06 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.96 171.36 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.3 mmtm -95.06 -58.71 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 155.38 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.642 HG12 HD11 ' A' ' 61' ' ' ILE . 32.7 t -60.51 158.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 39.9 t -160.24 140.67 8.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 38.7 t -110.91 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG21 ' HE2' ' A' ' 58' ' ' PHE . 1.8 t -81.74 125.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.539 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 23.7 t-160 -80.52 104.94 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.559 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 32' ' ' LEU . 3.9 t -86.41 118.38 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -124.86 166.11 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 66.59 2.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.9 -176.73 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 179.37 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -85.22 -5.24 59.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 t -144.33 64.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.54 136.53 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.16 158.33 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.729 ' CG ' HG11 ' A' ' 45' ' ' VAL . 13.7 tt0 -47.21 -50.65 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -38.95 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.69 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.7 m-20 -40.91 -32.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.924 HD21 HG11 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -82.91 -44.88 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.698 HG23 ' HG2' ' A' ' 29' ' ' GLU . 69.7 t -53.81 -53.42 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -7.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.84 -6.94 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.812 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.7 mt -121.82 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.64 -27.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -58.84 -28.42 66.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 43.3 m-85 -79.43 -64.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.46 -138.26 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -98.87 143.87 28.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -103.79 127.0 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -78.45 -68.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 45' ' ' VAL . 49.0 t80 -142.94 155.55 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 29' ' ' GLU . 11.3 m -121.17 158.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.706 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttm -137.02 134.75 36.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.2 mmt -107.59 117.49 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.5 mtm -122.33 106.35 35.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.44 18.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.18 -64.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -139.01 37.33 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 55.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 19' ' ' HIS . 31.2 mt-30 -116.84 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -170.51 143.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' SD ' ' A' ' 46' ' ' MET . 24.2 mt -109.64 145.44 36.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CD1' ' A' ' 36' ' ' LEU . 18.3 t -133.26 97.67 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.1 tp10 -79.55 94.47 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 28.2 m-85 -64.54 152.14 42.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -42.04 -53.14 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.91 160.49 31.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.642 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -66.83 -37.84 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -41.93 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.7 m -60.39 -62.25 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -41.04 -51.4 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 14' ' ' VAL . 13.4 mtpt -41.49 -59.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.763 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -61.37 -45.76 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.9 m -53.45 -39.14 64.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.788 HG21 ' CE1' ' A' ' 87' ' ' TYR . 95.6 t -76.67 -70.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -39.7 -37.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CD1' HG13 ' A' ' 74' ' ' VAL . 23.8 t80 -70.39 -42.16 72.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -71.61 -4.06 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.25 -35.58 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -27.65 23.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -139.75 139.0 20.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.01 152.18 40.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.03 152.85 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 67.2 m-85 -132.89 137.82 46.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.642 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.4 mm -106.17 110.35 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 71.62 14.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.35 -16.94 48.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -89.62 143.36 26.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.6 tt0 -72.41 139.89 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -135.0 -177.21 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.84 134.44 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.637 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.2 m-85 -119.3 113.51 20.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.3 138.23 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.3 m-85 -40.69 144.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -95.82 144.94 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 89' ' ' THR . 44.6 p -53.35 -36.61 61.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.2 169.83 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -105.25 -42.87 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -120.46 149.06 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 33.7 mt . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.743 HG12 HD11 ' A' ' 61' ' ' ILE . 17.2 t -55.66 159.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -155.33 141.74 13.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.98 -2.9 13.14 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 91' ' ' LYS . 22.1 t -116.92 109.24 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.3 t -84.63 123.99 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 22.7 t-160 -80.32 105.88 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.905 HG11 HD21 ' A' ' 32' ' ' LEU . 5.9 t -86.71 113.01 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.14 164.57 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.82 68.49 1.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.83 -175.59 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.17 153.85 21.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.41 -15.3 35.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.37 65.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.03 138.39 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.41 158.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.778 ' HG3' HG21 ' A' ' 45' ' ' VAL . 2.9 tt0 -47.27 -51.48 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -39.99 -67.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.755 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -41.04 -29.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -88.79 -42.91 11.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 29' ' ' GLU . 91.5 t -56.01 -50.94 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -7.55 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.714 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.96 3.01 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD13 HG11 ' A' ' 56' ' ' VAL . 5.2 mt -135.5 -42.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -46.38 -24.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -22.55 64.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 51.1 m-85 -82.15 -67.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.2 -121.92 0.88 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 m -118.45 141.5 48.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.456 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.8 mt -101.6 127.49 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 t -79.57 -69.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 45' ' ' VAL . 56.5 t80 -138.23 157.69 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 ' HG3' ' A' ' 29' ' ' GLU . 12.3 m -124.28 158.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.498 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -138.19 136.49 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mmt -106.71 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.616 ' HE1' HD21 ' A' ' 55' ' ' LEU . 31.1 mtm -115.63 113.13 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LYS . 18.0 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 57.96 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PRO . 4.9 mmtp -70.92 -8.57 53.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 59.56 44.02 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 75.1 mt-30 -96.81 172.0 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -162.13 138.9 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.4 mt -107.08 143.98 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.868 HG11 HD13 ' A' ' 36' ' ' LEU . 54.6 t -135.26 95.95 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -77.64 95.17 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.7 m-85 -63.73 152.77 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -43.8 -44.06 6.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 164.82 26.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.743 HD11 HG12 ' A' ' 14' ' ' VAL . 10.0 tt -69.13 -26.62 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -53.31 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -55.53 -52.06 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -44.08 -53.32 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.8 mtpt -56.7 -54.11 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.9 tp10 -43.35 -45.3 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 25.2 t -61.36 -54.94 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 87' ' ' TYR . 34.3 t -54.01 -71.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -40.64 -53.84 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 15.6 t80 -60.05 -34.5 73.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -80.07 3.11 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.71 -32.82 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.25 -31.71 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.5 p -135.0 138.39 29.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 148.34 35.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -127.85 153.7 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 81' ' ' GLN . 47.6 m-85 -134.11 134.5 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.714 HD13 ' CB ' ' A' ' 35' ' ' ALA . 5.7 mm -105.74 122.26 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.755 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 56.89 33.47 23.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.97 24.92 72.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.3 mm-40 -127.97 150.84 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.2 tp60 -77.71 139.04 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.47 174.88 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -128.6 144.32 51.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -124.81 116.23 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.57 139.52 28.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 68' ' ' VAL . 19.8 m-85 -44.22 143.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.96 144.79 26.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -51.07 -42.75 60.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.97 144.54 25.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.688 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -67.92 -52.0 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -107.04 154.79 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 71.6 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 61' ' ' ILE . 97.1 t 58.94 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 28.9 t -159.16 134.84 6.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' HG12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.3 t -126.87 101.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 HG22 ' A' ' 68' ' ' VAL . 1.5 t -80.89 120.21 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 15.7 t-160 -80.43 109.07 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 32' ' ' LEU . 7.8 t -86.02 116.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' NE ' ' CE1' ' A' ' 19' ' ' HIS . 13.2 mtt180 -113.64 173.93 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.64 64.34 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD21 ' CG1' ' A' ' 20' ' ' VAL . 49.3 mt -102.79 169.03 8.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -81.62 157.91 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -27.85 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.94 72.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -117.34 137.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.34 -179.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HG11 ' A' ' 45' ' ' VAL . 21.7 tt0 -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.66 -66.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . 7.7 m-20 -38.14 -35.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -84.37 -47.43 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 37' ' ' GLU . 71.3 t -54.71 -47.42 73.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -9.54 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.89 -39.05 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -84.29 -51.61 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 pp20? -40.16 -34.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -47.92 -25.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 52.2 m-85 -82.93 -70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.88 -121.69 0.95 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 m -112.26 148.05 34.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 36' ' ' LEU . 8.9 mt -112.82 123.06 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -60.22 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 24.8 t80 -145.36 164.44 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.631 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 81.0 t -140.41 117.65 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -100.38 137.15 39.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.85 119.11 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.1 mtm -111.15 106.57 57.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.63 17.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 14.1 mttt -130.52 58.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 44.69 61.61 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 6.3 mt-30 -125.43 166.69 16.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.2 141.07 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -103.25 142.15 34.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.624 HG21 ' CD1' ' A' ' 36' ' ' LEU . 53.7 t -128.18 98.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 2.0 tt0 -85.15 96.27 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.38 156.03 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.43 -48.34 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.01 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.863 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -51.1 -46.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ILE . 68.2 m-20 -38.82 -54.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -51.07 -45.72 61.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 14' ' ' VAL . 7.7 mtpt -58.26 -52.58 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.2 tt0 -51.49 -42.34 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 41.8 t -62.22 -63.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.63 HG21 ' CD1' ' A' ' 87' ' ' TYR . 70.6 t -50.55 -71.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 7.7 t -36.55 -52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 70.2 t80 -63.06 -41.51 99.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -81.5 5.1 18.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -107.66 -27.39 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.26 -27.4 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 75' ' ' PRO . 70.4 t -120.52 143.07 35.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.06 146.4 32.38 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 t -137.16 138.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 43.8 m-85 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.1 mm -114.46 106.2 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.6 14.05 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.28 -14.83 56.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.0 125.95 46.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.496 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -48.06 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.88 -175.12 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.76 148.31 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.658 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.8 m-85 -137.28 120.21 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -147.34 160.18 42.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.63 ' CD1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -62.66 133.15 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 17.4 t -93.71 139.15 31.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 p -84.73 45.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -123.76 -41.06 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.942 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER 82.42 -61.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.06 156.0 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 13.5 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 61' ' ' ILE . 41.7 t -46.27 157.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -154.44 146.87 17.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -9.24 20.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 91' ' ' LYS . 21.2 t -112.24 108.03 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 68' ' ' VAL . 1.8 t -83.55 122.22 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -80.24 106.22 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 32' ' ' LEU . 5.4 t -86.75 123.82 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -128.23 161.29 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 53.17 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 78' ' ' ILE . 68.8 mt -97.88 170.14 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 162.68 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.63 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -115.66 77.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.53 148.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 -179.72 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.4 tt0 -65.79 -56.67 10.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.84 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -40.7 -30.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD21 HG11 ' A' ' 20' ' ' VAL . 2.2 mt -89.28 -42.93 11.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 29' ' ' GLU . 54.5 t -55.57 -49.28 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.96 -6.87 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.38 -23.95 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.889 HD13 HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -104.24 -51.65 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -39.59 -31.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.61 -24.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 53.0 m-85 -84.23 -67.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.68 -131.14 1.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -101.76 146.2 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.836 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.5 mt -111.62 111.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.7 t -60.74 -61.54 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 37.9 t80 -146.17 168.47 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 56' ' ' VAL . 92.9 t -144.45 131.13 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.565 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -115.0 139.25 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.99 126.94 52.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' A' ' 55' ' ' LEU . 66.4 mtm -121.38 106.33 38.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.26 21.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -41.9 -65.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 7.8 mttt -139.07 59.58 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? 42.04 59.85 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.4 mt-30 -120.69 171.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.87 139.59 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 3.9 mt -108.14 145.82 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.889 HG21 HD13 ' A' ' 36' ' ' LEU . 3.4 t -135.59 102.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.4 tt0 -84.12 94.48 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.43 159.25 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 60' ' ' ASN . 6.3 pt-20 -50.71 -38.33 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -137.49 176.28 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 14' ' ' VAL . 12.9 tt -83.94 -23.76 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.65 -41.73 99.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -37.03 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.39 -50.75 68.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 mtpm? -56.21 -54.08 49.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 4.5 tt0 -42.19 -43.43 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 44.1 t -63.39 -54.03 43.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 41.7 t -57.94 -70.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' LYS . 8.9 t -38.24 -50.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 34.8 t80 -66.22 -38.21 87.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.46 3.19 25.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -110.1 -26.93 9.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.76 -34.3 7.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.708 HG13 ' HD2' ' A' ' 75' ' ' PRO . 67.8 t -113.54 143.17 28.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.708 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 t -133.66 142.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 36.4 m-85 -130.23 140.49 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 23' ' ' LEU . 28.7 mm -108.21 109.16 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 67.84 35.95 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.52 24.34 73.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.86 119.13 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.554 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -46.47 142.05 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.12 170.46 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -116.33 156.11 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.624 ' HE1' HD21 ' A' ' 36' ' ' LEU . 95.5 m-85 -143.47 114.68 7.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.98 142.43 30.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 24.3 m-85 -45.47 152.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -117.81 148.06 42.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.8 p -88.48 41.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -116.53 -34.61 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 mmtt 68.85 -61.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -116.89 155.47 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' MET . 2.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.668 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 10.1 t -42.82 161.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.461 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -154.9 132.87 6.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.96 -0.73 10.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 91' ' ' LYS . 46.8 t -119.95 103.88 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.0 t -81.82 126.11 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 20.9 t-160 -83.16 108.02 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.803 HG11 HD21 ' A' ' 32' ' ' LEU . 5.2 t -86.54 135.81 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -140.22 172.88 12.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 44.77 63.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD22 HG21 ' A' ' 78' ' ' ILE . 54.4 mt -85.83 168.48 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -73.55 165.98 24.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 108.308 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.95 -42.19 98.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.83 80.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.8 t -116.44 134.73 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.87 174.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG3' HG11 ' A' ' 45' ' ' VAL . 24.7 tt0 -56.5 -58.21 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.48 -66.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 22.6 m-20 -39.04 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HG11 ' A' ' 20' ' ' VAL . 2.6 mt -84.03 -46.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' GLU . 97.7 t -55.99 -52.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -13.69 14.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.9 -1.47 24.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -138.02 17.24 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.7 pp20? -96.83 -17.5 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.57 ' CE ' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.87 -26.18 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 33.3 m-85 -74.99 -59.03 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.06 -146.53 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -89.0 139.18 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.362 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.3 mt -100.36 112.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -61.22 -70.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 43.0 t80 -139.15 168.96 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 29' ' ' GLU . 71.9 t -143.03 116.83 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.484 ' HE2' HD12 ' A' ' 55' ' ' LEU . 1.3 tpp -96.39 138.48 33.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 120.16 37.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.1 mtm -116.31 106.77 48.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.16 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -122.38 45.01 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? 52.09 47.3 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 1.9 mt-30 -108.92 174.51 5.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.26 149.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 7.7 mt -109.36 144.29 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.695 HG21 HD13 ' A' ' 36' ' ' LEU . 42.1 t -129.85 100.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.68 95.92 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' HE2' HG21 ' A' ' 18' ' ' VAL . 35.7 m-85 -65.7 154.43 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.22 -41.68 62.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -134.19 143.18 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -54.52 -49.59 64.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-20 -38.39 -32.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -73.05 -56.44 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -42.94 -45.23 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -52.78 -57.74 9.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -43.72 -63.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 64' ' ' ALA . 4.9 t -52.26 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -39.16 -66.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' CE ' ' A' ' 38' ' ' LYS . 46.5 t80 -52.13 -35.32 47.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.11 7.64 18.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -109.28 -28.98 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.15 -32.63 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 75' ' ' PRO . 76.7 t -111.99 141.24 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.0 139.03 23.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.502 1.791 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -130.08 140.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -129.72 143.38 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' LEU . 42.1 mm -106.34 96.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 75.91 17.24 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.22 -21.3 31.43 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.411 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -91.09 129.62 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.15 144.73 57.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 23' ' ' LEU . . . -141.81 177.64 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.83 150.48 39.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.731 ' CE1' HD21 ' A' ' 36' ' ' LEU . 82.3 m-85 -135.46 124.36 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -153.68 159.22 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -62.98 132.28 51.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -81.53 133.56 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.5 p -41.26 -39.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 135.85 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.689 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -61.6 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -102.92 155.26 18.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.7 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.743 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 15.6 t -63.47 159.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 40.6 t -159.4 143.71 11.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.41 21.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.5 t -109.43 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.1 t -81.64 118.9 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.613 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 4.3 t-160 -80.04 107.46 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 32' ' ' LEU . 11.3 t -85.89 135.22 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -133.14 173.76 11.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.1 54.01 10.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -91.88 160.65 15.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.59 165.69 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -1.3 28.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 62.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 24' ' ' CYS . 3.2 t -109.99 132.54 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.28 164.03 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.4 tt0 -46.43 -60.89 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -36.78 -65.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.588 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 73.5 m-20 -39.74 -51.02 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -67.69 -40.41 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' GLU . 94.3 t -56.52 -43.19 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.98 -8.62 56.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.773 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -107.2 -11.68 15.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.7 mt -115.64 -44.98 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -50.84 -25.2 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.91 -15.89 36.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.1 m-85 -93.5 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -157.55 -129.96 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 m -102.02 148.55 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.2 mt -113.86 117.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.63 -64.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -148.41 161.64 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.586 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.1 t -135.59 125.53 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.518 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -108.16 143.8 36.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 46' ' ' MET . 1.6 mmt -110.27 110.11 20.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -97.37 109.59 50.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -63.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -155.4 75.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 24' ' ' CYS . 5.0 mmp_? 43.28 43.06 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 7.1 tt0 -101.08 165.16 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.56 139.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.3 mt -110.97 139.1 46.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 36' ' ' LEU . 54.5 t -123.08 101.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -87.46 94.76 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -67.29 164.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -57.01 -46.9 81.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.9 163.17 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 14' ' ' VAL . 17.9 tt -72.44 -38.98 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.17 -45.29 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -59.66 -54.85 41.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -43.78 -45.89 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -51.45 -52.39 46.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.648 ' HA ' HG22 ' A' ' 69' ' ' THR . 5.4 tt0 -50.4 -54.05 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -50.1 -42.13 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 108.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' ALA . 99.0 t -70.75 -72.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.2 t -41.59 -37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.631 ' O ' HG13 ' A' ' 74' ' ' VAL . 16.1 t80 -67.19 -42.39 84.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.634 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -75.5 2.8 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.11 -30.11 8.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.61 -35.79 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -126.24 137.6 30.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.04 126.14 9.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.803 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.028 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -95.91 148.2 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.5 127.62 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.5 mm -104.34 105.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.588 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 64.73 38.09 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.11 31.2 57.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -143.55 116.91 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 17.4 tm0? -38.37 156.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -152.31 159.24 43.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -121.27 128.64 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 1.028 ' CE2' HG21 ' A' ' 76' ' ' VAL . 32.3 m-85 -115.41 116.78 28.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.77 138.96 34.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.743 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -41.56 148.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' THR . 2.8 t -112.97 101.62 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.4 t -37.29 -34.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -42.14 -51.25 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 86.49 -50.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.14 143.97 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.518 HG23 ' HE2' ' A' ' 46' ' ' MET . 23.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.817 HG21 ' HE3' ' A' ' 65' ' ' LYS . 18.7 t -71.18 159.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 12.9 t -156.31 143.19 13.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 -14.4 21.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 91' ' ' LYS . 14.9 t -106.58 110.16 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -84.82 126.68 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 23.8 t-160 -80.74 105.55 12.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.808 HG12 HD21 ' A' ' 23' ' ' LEU . 4.8 t -88.34 107.27 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.603 HH21 ' NE2' ' A' ' 53' ' ' GLN . 14.7 mtp180 -104.5 174.1 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.28 79.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.808 HD21 HG12 ' A' ' 20' ' ' VAL . 94.9 mt -118.76 179.81 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 158.84 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 2.1 tm-20 -62.6 -36.57 83.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -111.14 75.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 32' ' ' LEU . 2.8 t -109.5 143.54 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.6 m -133.9 162.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 33' ' ' VAL . 20.6 tt0 -41.69 -57.96 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -38.43 -64.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 71.2 m-20 -39.83 -48.17 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -68.46 -55.48 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' GLU . 59.9 t -47.64 -52.48 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -34.99 65.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB3' HD13 ' A' ' 78' ' ' ILE . . . -95.25 7.65 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.994 ' CD1' HG21 ' A' ' 56' ' ' VAL . 6.0 mt -143.15 22.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 pp20? -106.81 -30.59 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -60.31 -24.36 64.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.701 ' HE2' HD23 ' A' ' 36' ' ' LEU . 30.4 m-85 -73.2 -65.03 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.77 -121.65 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -107.01 150.0 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.822 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -114.14 111.72 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -59.37 -73.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 50.9 t80 -135.81 171.78 13.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.868 HG22 HG22 ' A' ' 56' ' ' VAL . 77.3 t -145.33 141.75 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.6 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.9 ttm -124.95 144.27 50.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.33 126.07 52.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.617 ' HE1' HD21 ' A' ' 55' ' ' LEU . 57.4 mtm -120.28 106.32 40.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.6 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.66 -68.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -135.14 48.49 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 1.5 mmt85 52.96 51.33 16.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.603 ' NE2' HH21 ' A' ' 21' ' ' ARG . 6.8 mt-30 -106.86 168.33 9.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -162.05 135.13 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.617 HD21 ' HE1' ' A' ' 48' ' ' MET . 20.9 mt -106.96 147.15 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.994 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.0 t -137.96 105.82 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -86.43 98.18 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HE2' HG21 ' A' ' 18' ' ' VAL . 39.6 m-85 -67.4 159.25 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.19 -49.48 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -124.91 169.15 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 14' ' ' VAL . 18.7 tt -80.95 -16.36 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -70.46 -32.36 69.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 m -72.07 -54.35 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.73 -48.12 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.817 ' HE3' HG21 ' A' ' 14' ' ' VAL . 13.0 mtpt -53.46 -53.03 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.6 tt0 -48.61 -44.49 37.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -61.31 -52.23 65.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 99.1 t -54.02 -70.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -44.78 -49.91 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.624 ' O ' HG13 ' A' ' 74' ' ' VAL . 60.8 t80 -52.06 -38.21 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.723 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -80.69 8.83 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -108.9 -32.2 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.86 -37.26 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -125.3 137.15 29.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.5 Cg_endo -74.95 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.121 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.29 150.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.08 125.27 30.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.821 HD12 HD12 ' A' ' 32' ' ' LEU . 3.4 mm -97.47 107.94 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 63.97 39.32 8.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.21 70.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -137.41 116.71 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.1 tt0 -37.81 140.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -138.89 157.89 45.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.87 130.71 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 1.121 ' CE2' HG21 ' A' ' 76' ' ' VAL . 20.9 m-85 -113.57 112.48 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 135.67 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -43.44 141.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -90.96 155.78 18.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -55.17 -55.16 34.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.79 173.27 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -97.25 -61.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -101.75 155.55 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.6 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.842 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 3.6 t -72.63 161.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.457 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 26.1 t -157.97 140.47 10.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.21 10.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.56 1.821 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.8 t -117.52 106.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 68' ' ' VAL . 1.8 t -81.64 126.91 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 15.1 t-160 -80.64 106.03 12.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HD21 ' A' ' 23' ' ' LEU . 4.6 t -87.37 118.67 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 1.5 mtt85 -123.37 162.74 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.13 55.25 28.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 78' ' ' ILE . 70.7 mt -94.33 -173.23 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -175.11 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.87 -35.22 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 77.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.28 135.03 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG22 ' OD2' ' A' ' 31' ' ' ASP . 22.8 m -117.75 167.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.531 ' HG3' HG11 ' A' ' 45' ' ' VAL . 15.5 tt0 -52.22 -57.21 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.28 -62.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' A' ' 28' ' ' VAL . 13.3 m-20 -39.68 -36.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.5 mt -83.13 -49.85 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' GLU . 92.3 t -51.12 -57.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -14.79 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.97 -0.63 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 56' ' ' VAL . 1.8 mt -138.77 17.83 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -97.88 -16.86 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.07 -20.45 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 29.9 m-85 -80.95 -60.35 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.14 -152.02 7.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 m -85.32 137.97 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.6 mt -101.76 114.37 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -64.67 -70.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 28.2 t80 -138.39 166.04 25.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 62.2 t -141.81 125.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' ILE . 2.8 ttm -110.95 141.83 43.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.74 128.19 54.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.505 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.2 mtm -121.67 106.3 37.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.74 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.02 48.68 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.91 39.31 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -99.87 169.28 9.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' LEU . . . -165.19 150.69 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 46' ' ' MET . 16.0 mt -115.99 141.03 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 36' ' ' LEU . 65.6 t -128.31 98.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -80.92 94.87 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.1 m-85 -67.42 156.91 35.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.53 -49.85 66.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.33 154.1 34.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -66.94 -17.76 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.16 -44.55 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -56.52 -58.12 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -43.5 -46.06 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.964 ' O ' HG22 ' A' ' 69' ' ' THR . 10.4 mtpt -67.08 -38.02 84.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' SER . 5.1 tt0 -64.6 -35.26 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.7 t -69.74 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.6 m -34.89 -70.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.964 HG22 ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -39.43 -59.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' H ' HG23 ' A' ' 69' ' ' THR . 72.6 t80 -52.05 -35.55 47.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . . . -86.53 7.22 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -111.72 -28.07 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -29.28 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 75' ' ' PRO . 69.2 t -120.44 143.18 35.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.0 137.36 21.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.44 133.25 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -122.61 140.31 52.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.696 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 27.2 mm -107.42 96.23 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 84.06 14.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.95 -25.28 16.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 135.36 33.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.94 171.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.45 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -92.28 149.23 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CE1' HD21 ' A' ' 36' ' ' LEU . 59.7 m-85 -132.46 122.37 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -155.2 160.62 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.842 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.6 m-85 -62.43 131.46 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -85.35 137.2 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 89' ' ' THR . 69.6 p -45.6 -45.68 13.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.54 166.79 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -106.54 -43.97 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -122.64 152.06 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 46' ' ' MET . 21.9 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.811 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.0 t -45.9 159.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 41.8 t -153.45 141.77 14.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.99 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 92.3 t -114.69 104.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 68' ' ' VAL . 2.4 t -82.45 122.0 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -80.46 109.27 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 32' ' ' LEU . 6.9 t -86.96 124.87 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -122.48 167.69 13.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.41 56.4 22.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 mt -98.55 148.77 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -53.89 153.83 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -50.37 47.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -107.91 80.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.1 t -108.16 135.58 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 31' ' ' ASP . 15.6 m -112.39 168.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 23.7 tt0 -58.98 -54.39 47.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.17 -61.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 28' ' ' VAL . 5.3 m-20 -40.96 -29.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -91.13 -45.45 8.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.8 t -55.32 -50.21 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.23 -7.16 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.77 -21.41 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.5 mt -104.43 -41.16 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.3 pp20? -47.6 -23.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.29 -25.43 67.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m-85 -82.51 -67.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.95 -128.8 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.2 m -103.69 147.12 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -112.73 121.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.5 t -70.52 -63.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 108.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 54.3 t80 -145.64 171.26 14.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 84.0 t -144.28 130.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.447 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.4 tpp -114.63 139.42 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.54 126.1 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.432 ' CE ' HD21 ' A' ' 55' ' ' LEU . 41.4 mtm -120.11 108.51 38.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -13.72 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.72 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.4 43.67 2.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.6 mmt-85 56.48 46.02 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -102.97 169.68 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.46 138.0 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.5 mt -103.96 138.96 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 36' ' ' LEU . 49.2 t -125.34 97.08 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.1 tp10 -81.69 93.96 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.0 m-85 -66.85 161.18 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.24 -42.94 82.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.55 154.32 47.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 13.6 tt -64.69 -25.53 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m -60.47 -56.17 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.785 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -44.93 -41.2 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -69.85 -37.07 76.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' SER . 3.7 tp10 -62.62 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.603 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 49.5 t -68.77 -69.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.2 m -34.81 -71.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.3 t -37.68 -59.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 74' ' ' VAL . 36.8 t80 -51.19 -37.72 48.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.84 8.8 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -110.23 -30.96 7.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -35.7 9.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 70' ' ' PHE . 1.5 p -127.64 139.94 36.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.98 136.54 20.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -116.59 143.99 25.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -121.14 142.67 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.7 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.9 mm -116.62 96.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 83.94 26.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.11 -3.87 82.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -111.64 127.09 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -45.29 164.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 159.53 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.04 161.62 18.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 80.3 m-85 -145.21 112.84 6.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -141.54 133.87 28.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.811 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.4 m-85 -40.36 136.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -89.52 144.83 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.2 p -79.95 -11.33 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.4 p -73.57 -41.75 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER 83.15 -52.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -124.8 147.73 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 8.2 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.658 HG12 HD11 ' A' ' 61' ' ' ILE . 39.9 t -56.2 158.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -162.19 142.84 7.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 61.5 t -113.6 104.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 85' ' ' PHE . 2.2 t -82.16 126.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 19.7 t-160 -81.51 106.87 13.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 32' ' ' LEU . 4.0 t -86.65 137.27 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -146.13 159.92 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.1 67.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 32' ' ' LEU . 36.1 mt -93.45 153.17 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.86 160.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 108.279 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.84 99.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.5 81.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -116.4 159.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' N ' ' OD2' ' A' ' 31' ' ' ASP . 24.1 m -130.92 -165.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.75 ' HG3' HG11 ' A' ' 45' ' ' VAL . 26.1 tt0 -80.0 -57.87 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -35.77 -66.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.703 ' OD2' ' N ' ' A' ' 28' ' ' VAL . 1.8 p30 -36.01 -48.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 20' ' ' VAL . 3.0 mt -70.87 -48.54 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.0 t -49.78 -66.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -13.13 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -97.37 -2.7 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.946 HD13 HG11 ' A' ' 56' ' ' VAL . 3.0 mt -129.35 -37.79 1.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -45.64 -29.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -58.78 -28.85 66.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 33.0 m-85 -79.41 -69.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.33 -145.36 4.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -92.41 147.69 22.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.2 mt -111.46 132.47 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -64.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 59.3 t80 -140.09 170.42 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.75 HG11 ' HG3' ' A' ' 29' ' ' GLU . 59.8 t -141.1 114.06 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.758 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -96.01 133.91 39.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 111.05 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.88 123.81 47.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.6 mtm -123.82 107.32 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 -12.5 21.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.7 -57.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.98 41.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 56.75 42.32 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 4.3 mt-30 -103.16 177.92 4.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -174.23 143.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.7 mt -104.67 139.0 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.946 HG11 HD13 ' A' ' 36' ' ' LEU . 49.0 t -123.27 96.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 3.3 tp10 -78.15 95.38 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 30.6 m-85 -68.14 158.19 33.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.05 -49.84 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.24 161.93 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -71.07 -36.4 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.81 -42.33 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ALA . 2.7 m -62.83 -60.61 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -38.67 -52.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -42.74 -67.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -46.15 68.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.614 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 28.4 m -48.27 -49.05 34.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 64' ' ' ALA . 8.9 t -70.05 -67.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -39.29 -62.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 16.1 t80 -51.82 -32.51 31.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.76 8.41 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -113.47 -34.91 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -35.8 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -126.3 139.93 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.02 145.52 31.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.1 139.01 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.47 143.34 45.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.2 mm -106.6 105.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 75.43 6.66 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.09 -25.11 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.75 131.42 36.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.75 163.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.1 172.57 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.15 151.3 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE1' HD21 ' A' ' 36' ' ' LEU . 94.6 m-85 -136.79 124.93 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.71 138.3 20.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.658 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 23.1 m-85 -40.68 138.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 40.6 t -80.38 153.03 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.4 p -54.55 -54.09 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 173.92 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.5 mmtm -87.13 -72.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -94.56 155.25 16.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.758 HG23 ' HE2' ' A' ' 46' ' ' MET . 55.0 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.783 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 7.8 t -48.87 159.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 3.5 t -159.61 142.02 9.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.5 t -117.29 102.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG13 HG13 ' A' ' 68' ' ' VAL . 2.3 t -81.4 123.08 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.6 107.81 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 4.8 t -86.17 128.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -127.4 163.26 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 62.61 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.75 161.34 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -63.44 167.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -14.32 61.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -140.15 74.26 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.2 t -105.91 145.35 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.547 HG23 ' H ' ' A' ' 31' ' ' ASP . 33.5 m -120.27 169.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 33' ' ' VAL . 37.2 tt0 -59.97 -55.27 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.19 -61.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.547 ' H ' HG23 ' A' ' 28' ' ' VAL . 11.2 m-20 -41.56 -29.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HG ' HG21 ' A' ' 78' ' ' ILE . 1.3 mt -92.36 -42.95 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.3 t -53.76 -53.11 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.99 -6.63 29.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.622 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.23 -14.09 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 2.0 mt -114.14 -40.32 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 pp20? -47.67 -26.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -58.92 -20.54 52.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 54.5 m-85 -88.6 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.16 -135.44 1.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 m -98.97 140.95 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -104.75 116.04 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.07 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 53.9 t80 -151.8 163.21 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG11 ' HG3' ' A' ' 29' ' ' GLU . 97.9 t -136.31 131.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.621 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.1 ttp -118.1 141.36 48.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.7 129.72 53.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.552 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -114.47 111.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -74.99 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 49.1 m-85 -151.26 127.92 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt 44.6 30.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 45.93 94.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.8 mt-30 -142.98 169.85 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 140.2 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HE3' ' A' ' 48' ' ' MET . 6.2 mt -105.43 136.81 44.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 36' ' ' LEU . 51.4 t -124.31 96.56 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -81.22 94.47 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 29.4 m-85 -67.46 157.84 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.09 -48.86 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.33 162.1 22.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.726 HD11 HG12 ' A' ' 14' ' ' VAL . 15.7 tt -69.6 -25.06 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.12 -53.79 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.583 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m -46.39 -56.04 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.969 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -47.16 -44.98 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.904 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER -70.24 -37.48 74.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.612 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -68.23 -64.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -39.37 -72.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.5 t -37.5 -58.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.448 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 66.9 t80 -50.91 -39.79 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.82 8.67 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.48 -27.95 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -31.82 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 75' ' ' PRO . 75.9 t -116.86 140.61 27.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.0 133.47 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.47 133.85 67.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -122.07 135.63 54.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.7 mm -108.27 116.45 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 73.94 6.44 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.83 -22.58 18.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -93.29 145.25 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.21 161.12 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.91 165.37 15.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.614 ' HE1' HD21 ' A' ' 36' ' ' LEU . 84.1 m-85 -149.24 112.9 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.13 136.42 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.783 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.8 m-85 -41.2 143.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -106.1 150.52 25.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.7 p -94.07 31.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -110.62 -26.72 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.7 mmtt 67.8 -67.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mtt180 -111.44 155.39 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 46' ' ' MET . 11.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.87 -58.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t 62.84 81.97 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.43 -73.16 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -174.34 82.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 110.036 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -45.29 122.57 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.09 -138.18 0.58 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t 60.86 153.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.96 148.16 33.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -87.34 174.28 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.15 155.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -105.33 -48.66 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m 55.25 168.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.713 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 24.5 t -52.59 159.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 33.9 t -158.12 144.49 12.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.46 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.0 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 40.9 t -119.53 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 68' ' ' VAL . 2.2 t -83.15 123.08 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.08 107.82 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG11 HD21 ' A' ' 32' ' ' LEU . 5.7 t -86.89 126.05 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -133.44 156.67 47.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.48 49.23 26.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 78' ' ' ILE . 81.6 mt -96.39 172.57 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.5 165.59 24.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -31.57 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.9 m -118.82 77.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.46 142.53 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -119.18 178.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.964 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.2 tt0 -67.12 -46.68 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -49.99 -61.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -40.56 -40.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -79.47 -41.75 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.5 t -56.67 -47.88 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.46 -7.14 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.513 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.47 -23.65 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -103.07 -45.22 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.6 pp20? -45.14 -29.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -54.33 -24.75 20.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 58.1 m-85 -83.93 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.75 -130.72 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -100.39 147.41 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.9 mt -112.58 118.88 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -68.34 -61.86 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 41.5 t80 -148.75 168.13 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.557 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 70.7 t -143.44 135.47 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 55' ' ' LEU . 3.1 ttm -118.76 141.43 48.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.96 132.75 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.412 ' CE ' ' HG ' ' A' ' 55' ' ' LEU . 2.9 mpp? -124.25 106.8 30.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -133.52 59.33 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.2 OUTLIER 42.16 67.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.8 mt-30 -128.24 171.23 12.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.55 146.45 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 46' ' ' MET . 12.4 mt -107.35 145.42 32.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 63.1 t -131.3 99.86 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.62 95.04 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 24.8 m-85 -68.27 160.29 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.48 -50.76 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.2 163.52 26.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -64.76 -27.68 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -55.65 29.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -53.4 -55.02 28.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.39 -51.17 2.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.3 mtpt -55.71 -56.05 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -41.27 -44.78 2.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 48.6 t -62.06 -55.74 25.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 36.8 t -54.62 -70.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -39.92 -53.89 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' N ' HG23 ' A' ' 69' ' ' THR . 16.6 t80 -61.76 -34.63 76.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -82.48 5.88 19.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.71 -33.07 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -33.09 16.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.56 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -132.84 139.19 33.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.03 148.74 35.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.81 146.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 28.5 m-85 -123.14 138.36 54.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 23' ' ' LEU . 17.8 mm -102.26 120.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 54.94 36.07 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.31 29.06 62.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.14 120.67 16.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.8 tp60 -44.92 142.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.11 174.71 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -132.31 138.7 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.655 ' HE1' HD21 ' A' ' 36' ' ' LEU . 96.8 m-85 -122.93 115.42 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.74 140.45 33.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.713 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 20.1 m-85 -45.28 127.98 7.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -71.31 160.42 32.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.2 p -64.81 -55.1 21.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.31 170.93 14.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.3 mmtt -95.94 -41.51 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -122.15 152.25 40.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 46' ' ' MET . 59.9 mt -75.75 129.34 37.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.7 m -70.05 128.75 37.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -86.02 157.39 57.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.92 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.82 -109.46 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.05 119.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.76 153.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.89 176.83 16.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.41 2.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.9 t -141.4 132.14 25.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 p -100.88 129.57 46.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.957 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -118.05 105.79 12.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -150.39 126.39 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.73 158.2 18.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -140.07 155.4 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.92 94.56 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.89 80.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -157.18 -57.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 110.037 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 2.8 p80 -91.85 114.73 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.53 169.24 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.54 78.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.74 173.71 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.2 m -64.86 -178.13 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.874 HG21 ' HE3' ' A' ' 65' ' ' LYS . 43.3 t -72.59 155.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 t -152.71 141.37 14.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.6 t -118.97 106.25 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG13 HG22 ' A' ' 68' ' ' VAL . 2.0 t -82.91 122.04 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -81.76 108.03 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 HD21 ' A' ' 32' ' ' LEU . 5.6 t -86.46 126.71 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.509 HH21 ' NE2' ' A' ' 53' ' ' GLN . 6.3 mtp180 -129.44 152.51 48.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.65 63.39 2.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' C ' ' NE2' ' A' ' 81' ' ' GLN . 98.6 mt -110.94 159.9 17.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.0 t -62.2 168.4 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.0 -0.24 23.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 62.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 24' ' ' CYS . 1.9 t -104.3 137.13 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' LEU . 13.1 m -110.96 -178.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' VAL . 40.1 tt0 -68.61 -55.47 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.53 -63.41 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.6 -31.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.657 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -88.84 -42.87 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' GLU . 60.4 t -54.05 -52.76 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.42 -7.17 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.621 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -104.18 -13.31 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.754 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -115.11 -38.94 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -48.8 -28.57 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -56.25 -21.92 26.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 47.9 m-85 -87.25 -61.31 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.21 -134.6 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.8 m -97.46 147.24 24.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.5 mt -112.24 116.14 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.0 -62.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.351 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 44.6 t80 -150.82 165.66 32.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG11 ' HG3' ' A' ' 29' ' ' GLU . 92.7 t -140.28 124.3 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.531 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.3 ttp -104.62 139.01 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.36 109.19 20.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.2 mtm -99.39 111.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 55.71 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.555 1.818 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 38.6 m-85 -152.24 128.79 10.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 50.88 22.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? 48.67 82.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' NE2' HH21 ' A' ' 21' ' ' ARG . 19.8 mt-30 -134.43 175.12 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.97 139.5 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.0 mt -101.26 142.45 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG11 HD13 ' A' ' 36' ' ' LEU . 62.4 t -128.11 98.4 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -85.7 94.86 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 28.8 m-85 -66.94 165.04 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.21 -52.7 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.35 167.2 12.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 HG12 ' A' ' 14' ' ' VAL . 15.2 tt -77.09 -17.06 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.78 -38.06 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -66.56 -53.85 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -41.68 -49.87 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.874 ' HE3' HG21 ' A' ' 14' ' ' VAL . 16.5 mtpt -55.53 -56.7 17.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -41.58 -45.3 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 47.9 t -61.87 -52.69 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 108.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 87' ' ' TYR . 47.4 t -57.5 -71.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 70' ' ' PHE . 10.2 t -39.0 -53.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.512 ' N ' HG23 ' A' ' 69' ' ' THR . 52.4 t80 -62.6 -37.74 87.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -82.25 4.4 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -108.16 -29.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.84 -33.06 7.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 75' ' ' PRO . 56.0 t -114.17 138.91 23.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.0 139.59 24.46 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.6 138.85 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -122.44 137.87 54.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.9 mm -113.3 109.27 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.53 37.85 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.03 24.97 74.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 23' ' ' LEU . 3.9 tt0 -137.93 121.23 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.45 159.11 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.6 168.27 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -115.34 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.6 m-85 -120.16 120.99 37.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -143.09 166.52 24.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.4 m-85 -70.33 141.79 52.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -103.89 130.17 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.6 p -76.68 57.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -133.49 -45.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 90' ' ' SER . 5.6 tptt 84.58 -54.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.79 144.37 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 46' ' ' MET . 12.5 mt -85.18 136.77 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -64.34 127.65 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -92.63 159.11 37.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.65 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 44.47 -116.73 1.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.48 -57.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -62.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.33 -170.86 19.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 95.83 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.6 t -130.83 136.79 48.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.51 -58.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.947 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -152.55 169.92 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -127.67 -59.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.21 71.74 0.92 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -134.14 161.79 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -111.68 -60.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.27 -178.81 33.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.36 166.94 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -80.37 -71.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.8 t-160 54.54 84.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -62.96 110.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 10' ' ' HIS . 39.9 t -128.11 130.09 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 p -103.78 168.81 8.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 24.5 t -47.1 159.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 45.5 t -158.84 143.05 11.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.97 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.3 t -119.11 108.86 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 68' ' ' VAL . 1.7 t -82.46 122.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 15.3 t-160 -80.3 104.53 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 54' ' ' ALA . 3.4 t -86.59 117.86 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 135.01 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.1 36.44 4.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.19 -132.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.48 -171.09 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -37.99 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.5 46.8 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.12 135.59 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.94 172.71 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.8 tt0 -54.77 -58.72 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.57 -65.08 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.9 m-20 -39.11 -33.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 78' ' ' ILE . 3.1 mt -86.34 -45.59 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 37' ' ' GLU . 65.6 t -54.93 -48.69 74.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -7.72 23.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.23 -25.51 11.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' CD1' HG21 ' A' ' 56' ' ' VAL . 1.3 mt -100.09 -46.03 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 33' ' ' VAL . 16.3 pt-20 -41.33 -37.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -43.83 -28.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 46.4 m-85 -80.85 -67.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -135.88 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 152.65 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 37' ' ' GLU . 6.2 mt -119.95 113.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t -62.63 -63.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.07 169.4 18.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG11 ' HG3' ' A' ' 29' ' ' GLU . 77.2 t -144.63 121.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -105.82 140.95 38.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.71 122.47 46.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.732 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.1 mtm -119.95 106.23 41.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.803 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.3 t80 75.36 -62.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.8 mttt -109.64 24.49 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 37.94 78.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 11.4 mt-30 -132.21 -179.8 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.13 138.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.732 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -100.9 146.78 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 36' ' ' LEU . 66.6 t -132.47 100.8 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -87.58 94.77 9.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 31.8 m-85 -68.64 163.17 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -48.21 -53.14 18.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.67 166.08 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 19.3 tt -69.31 -24.01 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -61.61 -49.67 75.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -52.77 64.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -42.07 -49.62 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HE2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -56.53 -53.15 60.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 1.1 tp10 -43.2 -43.42 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.225 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 51.6 t -62.98 -58.38 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 18' ' ' VAL . 85.6 t -52.95 -70.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 70' ' ' PHE . 13.3 t -39.04 -53.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 69' ' ' THR . 39.4 t80 -62.18 -35.61 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -78.71 2.8 18.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.17 -31.05 7.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -31.17 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.7 p -134.88 139.96 33.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.05 149.55 36.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.08 149.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -127.95 142.55 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 35' ' ' ALA . 36.4 mm -108.02 119.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 65.64 14.29 9.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.11 -16.64 49.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 17.1 mm100 -88.2 159.31 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.8 tp60 -80.7 138.6 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.53 167.97 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -120.68 169.6 10.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.581 ' HE1' HD21 ' A' ' 36' ' ' LEU . 87.7 m-85 -149.1 117.49 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 140.1 24.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.0 m-85 -41.24 145.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.5 t -96.93 135.74 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.989 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.3 p -43.68 -41.42 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.22 170.49 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.8 tptt -106.11 -48.88 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 3.2 ttt180 -120.66 142.36 49.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.0 mt -70.73 145.43 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -85.33 141.14 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -90.96 152.61 44.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.4 26.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 102.82 -159.95 17.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -174.77 156.3 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.794 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 m -153.7 151.99 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.11 87.82 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.67 5.26 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.5 p -90.32 137.96 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 39.6 87.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -161.66 145.05 12.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.1 97.77 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.14 61.23 4.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.85 105.87 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.96 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.37 -171.24 21.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.4 p -167.81 166.34 13.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 0.759 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -105.54 146.26 29.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.3 66.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.586 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 53.33 70.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.3 136.79 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 p -98.7 171.26 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.653 HG12 HD11 ' A' ' 61' ' ' ILE . 38.8 t -44.26 158.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 41.4 t -161.58 140.76 7.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.622 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -5.81 17.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 42.9 t -113.24 106.21 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG13 HG22 ' A' ' 68' ' ' VAL . 1.9 t -85.82 122.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -80.55 108.68 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.552 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 6.6 t -86.58 132.67 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -131.15 172.61 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.29 61.24 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.89 -177.28 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -83.81 -173.54 4.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -42.46 15.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -113.63 73.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG21 ' H ' ' A' ' 24' ' ' CYS . 3.9 t -106.06 133.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.1 m -116.98 176.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG3' HG11 ' A' ' 45' ' ' VAL . 14.4 tt0 -57.45 -59.53 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.1 -62.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ALA . 15.3 m-20 -39.63 -37.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt -83.13 -51.12 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 42' ' ' ILE . 69.7 t -49.22 -57.14 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -14.55 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.617 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -0.68 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.806 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.9 mt -139.8 18.82 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -98.14 -17.82 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -23.94 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 46.8 m-85 -77.82 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.44 -147.93 5.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.1 m -87.54 136.62 32.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.7 mt -99.13 112.02 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -58.96 -71.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -137.75 170.35 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.5 t -144.06 113.88 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.455 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -99.72 137.63 37.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.75 110.6 22.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.603 ' HE1' HD21 ' A' ' 55' ' ' LEU . 69.3 mtm -100.7 108.05 51.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.44 3.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -146.26 130.0 17.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp 43.95 30.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 47.02 84.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.9 mt-30 -142.88 173.38 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 156.21 6.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt -116.06 137.78 51.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 36' ' ' LEU . 38.1 t -124.54 96.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -81.23 95.16 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 22.8 m-85 -66.15 156.16 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -52.43 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.22 171.9 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 HG12 ' A' ' 14' ' ' VAL . 16.5 tt -81.27 -36.23 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -51.3 -29.24 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -73.8 -59.7 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.9 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -42.08 -59.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 69' ' ' THR . 1.6 tp10 -61.35 -45.13 95.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -52.55 -39.79 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.534 HG21 ' CE1' ' A' ' 87' ' ' TYR . 74.2 t -76.12 -71.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -38.08 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD1' HG13 ' A' ' 74' ' ' VAL . 17.8 t80 -68.42 -46.74 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -66.1 -9.1 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.3 -39.97 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.36 40.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.604 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.0 p -143.56 140.08 17.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 150.38 37.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.87 153.37 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.466 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.4 m-85 -132.75 137.69 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.617 HD13 ' CB ' ' A' ' 35' ' ' ALA . 16.8 mm -106.0 107.72 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 71.82 26.63 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.55 -3.86 85.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -107.79 122.98 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.466 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 6.9 tm0? -47.9 165.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -167.39 160.82 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 15.8 m-85 -112.14 146.69 37.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' CE1' HD21 ' A' ' 36' ' ' LEU . 86.1 m-85 -131.49 118.05 19.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.12 149.89 35.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 23.0 m-85 -49.43 148.16 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' SER . 5.4 m -112.66 102.56 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.33 -31.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 1.2 m -43.38 -52.41 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 90' ' ' SER . 14.5 tptt 85.39 -49.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.254 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.74 148.28 46.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 46' ' ' MET . 14.8 mt -88.22 123.72 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.1 m -72.21 126.03 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -93.13 153.57 41.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 98.01 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -64.04 -128.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.83 95.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.7 t -124.97 94.38 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.87 -146.06 20.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.56 40.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 140.8 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.77 96.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 71.58 -67.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.56 106.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.34 176.36 54.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 44.52 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -118.8 124.45 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.35 142.49 3.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.2 p -174.49 121.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -127.22 121.46 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -146.44 -67.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.96 132.38 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -140.64 -59.91 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m 68.39 143.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.754 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.3 t -43.5 161.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.44 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 14.7 t -154.68 143.9 15.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 91' ' ' LYS . 48.6 t -108.39 111.13 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -85.94 128.44 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.81 106.54 15.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 23' ' ' LEU . 3.5 t -86.38 126.25 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -130.33 165.32 22.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.27 54.91 33.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 20' ' ' VAL . 42.5 mt -97.37 160.21 14.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -62.09 172.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 108.32 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.49 -46.88 62.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.51 80.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.6 t -114.62 146.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.569 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.5 m -125.01 -174.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.549 ' HG3' HG11 ' A' ' 45' ' ' VAL . 19.3 tt0 -69.59 -60.92 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -38.9 -65.92 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.57 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 12.3 m-20 -37.9 -40.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.3 mt -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.6 t -51.03 -48.95 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.85 -16.29 27.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.05 -0.04 25.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.842 HD21 ' CZ ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -137.57 17.55 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.8 pp20? -100.15 -18.22 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -22.95 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 27.9 m-85 -76.92 -64.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.49 -135.96 1.97 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -95.94 143.77 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -107.72 113.04 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 2.0 t -62.76 -71.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -135.94 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 29' ' ' GLU . 61.2 t -144.85 111.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HE1' HG23 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -96.01 138.26 33.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 132.86 51.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.521 ' HE1' ' N ' ' A' ' 54' ' ' ALA . 1.8 mpp? -123.96 106.96 31.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -9.97 21.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.431 1.753 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -45.88 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -132.69 45.13 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? 54.05 43.17 31.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 18.4 mt-30 -104.01 170.98 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.521 ' N ' ' HE1' ' A' ' 48' ' ' MET . . . -169.86 146.86 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.9 mt -106.73 147.5 29.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 36' ' ' LEU . 55.2 t -132.06 100.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.2 tp10 -84.67 95.8 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 25.2 m-85 -68.22 163.11 23.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.5 -45.23 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 166.78 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 19.2 tt -75.37 -12.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -74.14 -25.92 60.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.3 m -80.07 -56.76 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.14 -43.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -59.79 -61.41 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -39.05 -45.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.592 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 23.8 t -57.28 -60.01 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 64' ' ' ALA . 14.0 t -48.37 -71.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 5.7 t -42.04 -54.04 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.612 ' O ' HG13 ' A' ' 74' ' ' VAL . 13.9 t80 -53.85 -40.33 66.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -79.14 6.52 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -105.49 -32.01 8.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -34.76 11.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -127.29 135.04 26.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.91 8.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.107 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.39 150.18 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.94 128.98 37.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 32' ' ' LEU . 25.8 mm -97.73 107.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.57 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 59.42 36.18 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.84 39.34 20.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.76 116.09 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.3 tt0 -43.63 143.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -140.05 156.8 46.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -114.1 129.18 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 1.107 ' CE2' HG21 ' A' ' 76' ' ' VAL . 19.0 m-85 -114.72 113.57 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 58.0 m-80 -134.74 164.38 27.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.754 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.2 m-85 -72.1 125.98 28.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -83.77 115.5 22.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 74.9 p -53.46 -21.97 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -63.97 -25.66 68.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 5.7 mmtm 69.52 -62.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' SER . 22.9 mmt85 -113.54 153.85 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 46' ' ' MET . 20.0 mt -86.75 135.85 24.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.3 m -77.62 127.72 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.367 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -90.52 153.95 46.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.01 36.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 80.1 86.24 0.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.13 -59.83 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -81.23 -64.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.77 -149.3 49.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.34 3.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.774 . . . . 0.0 111.051 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.94 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 p -142.95 105.96 4.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.0 128.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -177.94 142.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.55 167.7 35.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -165.98 166.73 17.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -118.19 168.73 10.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 101.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.98 150.77 31.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 0.812 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.44 108.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -169.61 -59.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -115.12 160.87 19.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.7 t 66.01 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -103.7 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 ' HD3' ' A' ' 65' ' ' LYS . 2.8 t -53.04 164.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 43.4 t -161.09 135.66 5.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.3 Cg_endo -74.98 -7.01 18.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.771 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' LYS . 57.2 t -113.77 103.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -81.95 123.15 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 15.0 t-160 -80.55 106.74 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 32' ' ' LEU . 2.9 t -86.54 118.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 19' ' ' HIS . 2.1 mtt180 -119.19 169.77 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.02 68.61 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -86.75 174.69 8.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -9.14 59.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.53 71.92 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -108.84 150.68 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 31' ' ' ASP . 28.4 m -127.76 178.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.4 tt0 -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.98 -63.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' H ' HG23 ' A' ' 28' ' ' VAL . 34.6 m-20 -40.17 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD21 HG11 ' A' ' 20' ' ' VAL . 2.7 mt -90.78 -43.94 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 29' ' ' GLU . 52.5 t -53.91 -50.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.51 -7.94 29.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.28 -11.5 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.4 mt -114.89 -37.15 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -49.45 -23.76 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -14.82 52.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 49.9 m-85 -96.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.71 -151.1 6.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -82.39 147.12 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.1 mt -110.99 115.04 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -66.15 -58.36 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.264 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -151.43 166.53 30.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG11 ' HG3' ' A' ' 29' ' ' GLU . 72.8 t -142.76 124.17 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.624 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -108.58 141.85 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.45 132.28 54.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.3 mtm -124.14 106.54 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 -17.01 19.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.29 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.18 54.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.17 74.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 5.0 mt-30 -139.07 170.26 16.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.94 145.19 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 8.9 mt -106.47 145.93 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 36' ' ' LEU . 56.0 t -130.87 100.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -85.94 94.52 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.605 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 35.5 m-85 -67.35 155.03 39.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.27 -54.93 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -120.8 165.85 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.831 HD11 HG12 ' A' ' 14' ' ' VAL . 21.3 tt -73.83 -35.57 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -48.44 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 3.3 m -52.39 -61.32 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . . . -41.32 -56.4 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HD3' HG21 ' A' ' 14' ' ' VAL . 20.0 mtmt -39.76 -57.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.762 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -61.91 -43.6 98.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.605 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.2 m -55.04 -38.89 68.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.292 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 87' ' ' TYR . 99.5 t -76.55 -69.84 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.762 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.7 t -40.19 -37.51 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 11.9 t80 -70.76 -40.83 72.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -75.64 0.39 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.59 -31.52 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -29.3 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -136.89 138.78 26.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.03 151.98 40.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.8 t -134.22 149.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 27.7 m-85 -126.37 136.72 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.606 HD13 ' CB ' ' A' ' 35' ' ' ALA . 20.1 mm -105.56 114.7 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.12 35.72 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.97 19.81 79.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.86 121.78 28.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 1.4 tp60 -48.13 143.74 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.32 176.98 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -131.42 145.51 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.675 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.9 m-85 -132.41 115.41 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 142.25 27.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.703 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -42.96 135.81 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -85.82 157.88 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.7 p -61.49 -49.34 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -74.37 176.41 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -105.23 -45.29 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 2.7 ptt85 -124.08 149.46 46.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.624 HG21 ' HB2' ' A' ' 46' ' ' MET . 58.2 mt -71.27 142.87 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.27 130.53 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -95.9 154.02 39.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.28 3.44 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.8 145.97 4.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -138.15 157.75 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.76 158.15 44.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.43 159.44 30.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.24 41.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -111.58 -56.79 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 58.27 85.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 142.45 34.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.34 148.8 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.68 177.7 29.42 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -169.56 133.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.27 174.6 10.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.36 -178.52 28.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.07 167.34 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -165.69 111.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -153.78 99.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 126.68 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.51 157.36 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.9 p -116.98 -179.51 3.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.4 t -59.94 161.45 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 28.8 t -157.93 144.5 12.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.08 17.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 53.3 t -113.57 104.29 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.8 t -82.19 122.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -80.58 108.11 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.682 HG11 HD21 ' A' ' 32' ' ' LEU . 3.7 t -86.1 130.53 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -133.73 173.65 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.53 68.35 0.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.8 mt -106.31 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -79.13 -174.85 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.15 -34.49 22.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 76.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' CB ' ' A' ' 24' ' ' CYS . 19.5 t -108.79 144.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -127.89 161.69 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' VAL . 15.6 tt0 -43.82 -56.81 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -43.04 -63.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -42.17 -29.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.682 HD21 HG11 ' A' ' 20' ' ' VAL . 1.5 mt -90.98 -40.67 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' N ' ' A' ' 37' ' ' GLU . 89.6 t -55.82 -45.17 79.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -7.76 50.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 78' ' ' ILE . . . -106.76 -15.33 14.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.802 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.2 mt -114.15 -48.52 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.65 -30.02 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.563 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -55.81 -18.4 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.2 m-85 -91.45 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.5 -134.43 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m -100.39 146.67 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.802 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.6 mt -112.76 120.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.1 t -68.91 -63.31 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 56.9 t80 -145.66 166.98 24.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 76.4 t -141.85 128.24 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -114.56 133.58 55.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.2 135.88 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -123.67 106.29 32.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.04 9.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -53.41 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -131.58 56.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.23 74.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 36.2 mt-30 -142.64 173.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -173.6 147.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 13.3 mt -104.58 142.5 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 36' ' ' LEU . 61.9 t -126.95 97.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -82.97 94.95 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.2 m-85 -67.97 158.36 32.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.22 -36.75 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -135.84 154.61 51.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 HG12 ' A' ' 14' ' ' VAL . 16.4 tt -64.5 -35.52 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -52.95 -42.35 65.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.489 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 16.9 m -61.98 -53.74 51.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -45.55 -44.06 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HE3' HG21 ' A' ' 14' ' ' VAL . 27.9 mtpt -58.33 -60.86 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 7.1 tt0 -39.22 -44.6 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 85' ' ' PHE . 36.3 t -59.42 -58.7 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.645 HG21 ' CE1' ' A' ' 87' ' ' TYR . 21.0 t -51.09 -71.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 7.6 t -40.74 -52.05 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 74' ' ' VAL . 17.1 t80 -54.37 -37.75 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -76.08 2.55 12.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -106.82 -30.05 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -35.53 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -127.81 134.88 26.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.067 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -91.75 145.82 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -134.68 125.88 27.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 21.1 mm -93.52 97.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.76 9.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.08 -22.53 12.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -85.39 132.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 2.0 tp60 -49.65 142.01 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -134.85 163.07 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 3.4 m-85 -128.77 131.88 47.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 1.067 ' CE2' HG21 ' A' ' 76' ' ' VAL . 30.0 m-85 -120.08 121.0 37.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.34 163.14 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.892 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.2 m-85 -69.23 144.82 53.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 t -118.62 128.69 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.6 p -74.89 56.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -43.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 12.5 mmtm 72.03 -60.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 7.0 ttt180 -105.1 144.61 31.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 24.5 mt -95.49 124.82 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.6 m -57.25 130.01 44.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -98.18 153.57 38.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.1 40.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.813 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.33 155.86 53.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -123.81 124.19 42.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.5 t -87.26 -60.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.21 -98.73 0.91 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.04 2.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.47 -60.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 122.63 29.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 63.11 105.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -70.82 108.05 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.76 -160.95 39.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -176.89 155.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 p -126.51 143.43 51.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.935 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.17 150.41 8.65 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -172.4 139.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.046 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -85.3 133.42 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.575 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -153.21 -59.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.37 160.45 24.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t 66.76 142.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 t -101.19 -178.62 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.711 HG12 HD11 ' A' ' 61' ' ' ILE . 24.1 t -58.79 158.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 t -157.3 142.6 12.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.96 -13.17 21.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 91' ' ' LYS . 54.5 t -109.05 105.34 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.37 124.91 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -81.96 110.53 17.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 32' ' ' LEU . 6.0 t -86.63 127.92 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -124.69 172.33 9.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.52 71.25 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -107.11 173.65 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -80.42 -174.84 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -41.61 18.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.22 69.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -103.2 136.99 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 31' ' ' ASP . 34.3 m -121.58 163.4 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' HG23 ' A' ' 33' ' ' VAL . 26.4 tt0 -49.57 -57.52 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.77 -63.01 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 28' ' ' VAL . 17.4 m-20 -40.17 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -90.17 -42.87 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 29' ' ' GLU . 40.1 t -54.22 -54.16 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.12 -7.21 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.643 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -103.63 -13.58 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.2 mt -115.93 -40.38 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.1 pp20? -44.2 -33.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' CE ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.18 -27.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 34.5 m-85 -82.62 -65.33 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.42 -140.09 2.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -91.52 152.39 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -118.08 113.99 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -62.48 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 51.7 t80 -146.53 171.04 15.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 71.3 t -145.23 122.99 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -104.98 138.92 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.88 121.96 45.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.667 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.2 mtm -121.12 106.41 38.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.07 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.1 t80 72.18 -60.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -106.34 20.68 18.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.0 60.15 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.79 174.25 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.54 140.38 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.7 mt -101.49 144.6 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 36' ' ' LEU . 55.1 t -130.04 99.75 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' CYS . 1.1 tp10 -84.98 94.76 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.32 161.69 26.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -51.72 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.38 172.55 10.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.711 HD11 HG12 ' A' ' 14' ' ' VAL . 19.8 tt -82.17 -9.76 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.95 -41.45 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -52.99 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -40.59 -49.68 2.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -52.62 -52.7 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -47.26 -50.68 20.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.8 t -49.78 -54.24 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 87' ' ' TYR . 3.4 t -58.72 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -40.14 -62.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 30.8 t80 -52.58 -33.02 44.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.26 9.2 13.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -112.76 -31.63 6.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -36.33 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 75' ' ' PRO . 2.2 p -127.32 138.72 33.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 147.41 33.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.5 138.62 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 25.7 m-85 -120.25 146.83 45.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.643 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.0 mm -111.09 118.61 57.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.17 34.49 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.89 35.55 49.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.39 123.38 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.776 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -50.07 143.92 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.4 174.74 10.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 52.9 m-85 -128.75 144.69 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 91.1 m-85 -129.43 112.2 13.56 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -140.74 136.39 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.724 ' CE1' HG21 ' A' ' 68' ' ' VAL . 20.3 m-85 -44.01 130.93 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 t -73.04 158.38 35.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -65.06 -40.15 94.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.78 169.01 12.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.5 mmtt -87.48 -71.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 11.0 mtm105 -101.22 155.04 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.479 HG21 ' HB2' ' A' ' 46' ' ' MET . 56.3 mt -72.1 140.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.4 m -70.54 133.2 46.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -105.11 147.91 35.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -32.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 53.45 172.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 175.61 123.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -171.27 118.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.99 99.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.6 p -152.46 -53.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -45.6 -56.56 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -110.02 127.22 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 0.747 . . . . 0.0 109.957 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -168.16 103.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.95 -128.53 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 65.31 160.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 61.96 158.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 119.73 2.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.23 115.04 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -175.66 157.75 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.19 82.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -143.29 85.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 129.21 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.5 p -98.73 172.95 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 38.0 t -50.38 159.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.2 t -158.05 143.9 12.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.2 t -114.72 106.28 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 68' ' ' VAL . 1.6 t -81.71 121.66 35.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 21.2 t-160 -80.41 104.64 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD21 ' A' ' 32' ' ' LEU . 3.2 t -86.66 118.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.16 138.12 49.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.78 38.88 4.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.3 mp -82.59 -133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.68 -172.74 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -91.5 -23.99 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.67 65.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.96 147.41 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 167.68 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.582 ' HG2' HG23 ' A' ' 33' ' ' VAL . 30.3 tt0 -54.45 -56.11 22.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -41.12 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ALA . 69.5 m-20 -38.38 -32.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.9 mt -86.19 -47.95 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.582 HG23 ' HG2' ' A' ' 29' ' ' GLU . 73.7 t -53.85 -47.53 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -66.93 -8.19 27.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.612 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.75 -29.13 10.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD21 ' HE1' ' A' ' 85' ' ' PHE . 1.1 mt -93.7 -44.96 7.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 33' ' ' VAL . 20.4 pt-20 -44.07 -34.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -49.06 -25.48 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.594 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 50.4 m-85 -81.9 -69.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.92 -126.59 0.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -104.97 146.33 29.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 0.806 . . . . 0.0 110.395 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 37' ' ' GLU . 5.8 mt -111.47 125.41 68.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.1 -63.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 31.8 t80 -146.27 166.34 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.612 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 77.0 t -142.32 132.04 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.575 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.9 ttm -114.54 141.99 47.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.95 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.6 mtm -122.03 109.07 33.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.11 19.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -40.07 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -141.17 59.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.66 76.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 23' ' ' LEU . 10.0 mt-30 -139.11 -179.87 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -175.17 138.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD12 ' SD ' ' A' ' 46' ' ' MET . 11.0 mt -100.9 146.16 27.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 36' ' ' LEU . 71.8 t -133.23 102.41 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -88.57 94.61 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -67.87 158.17 33.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.4 tm-20 -42.38 -55.38 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.49 172.29 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 14' ' ' VAL . 21.0 tt -78.1 -16.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.89 -55.48 19.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -56.85 -44.29 81.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -46.89 -47.99 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -54.68 -56.64 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -43.29 -53.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 38.3 t -46.73 -60.66 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 18' ' ' VAL . 4.4 t -55.04 -71.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -38.36 -64.94 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 47.6 t80 -51.69 -39.24 57.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -81.82 4.64 21.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -107.02 -28.18 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.06 -28.57 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 75' ' ' PRO . 79.4 t -118.58 141.49 29.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.01 141.34 26.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.54 1.811 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.9 t -132.71 131.65 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 35.6 m-85 -119.36 140.75 49.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.612 HD13 ' CB ' ' A' ' 35' ' ' ALA . 17.7 mm -111.45 115.48 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.83 33.3 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.0 10.03 86.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.12 122.48 42.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.56 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.7 tt0 -51.49 142.16 14.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -143.9 171.65 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -126.31 148.88 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.1 m-85 -131.62 125.45 32.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' HA ' HG13 ' A' ' 68' ' ' VAL . 8.6 m-80 -154.0 142.89 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.589 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 24.7 m-85 -45.08 138.74 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -84.45 162.71 19.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.1 p -64.35 -49.06 73.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.96 171.36 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.3 mmtm -95.06 -58.71 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.92 155.38 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 59.3 mt -76.2 132.3 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -72.01 129.58 38.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -95.35 156.28 37.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 111.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.24 -141.56 9.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.68 105.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 p -100.67 147.37 26.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -55.28 156.4 8.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.51 4.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.87 116.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 61.18 163.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -160.6 147.0 15.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 0.72 . . . . 0.0 109.965 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -115.8 169.4 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.77 -159.72 33.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.46 142.49 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.45 113.57 1.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.9 134.18 3.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -157.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 67.1 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' SER . 27.2 m80 71.09 128.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -84.46 171.66 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.66 176.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 172.71 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG12 HD11 ' A' ' 61' ' ' ILE . 32.7 t -60.51 158.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 39.9 t -160.24 140.67 8.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 38.7 t -110.91 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG21 ' HE2' ' A' ' 58' ' ' PHE . 1.8 t -81.74 125.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.539 ' CE1' ' OE1' ' A' ' 53' ' ' GLN . 23.7 t-160 -80.52 104.94 11.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.559 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 32' ' ' LEU . 3.9 t -86.41 118.38 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -124.86 166.11 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.86 66.59 2.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.9 -176.73 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 179.37 5.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -85.22 -5.24 59.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 t -144.33 64.66 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.54 136.53 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -118.16 158.33 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.729 ' CG ' HG11 ' A' ' 45' ' ' VAL . 13.7 tt0 -47.21 -50.65 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -38.95 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.69 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 1.7 m-20 -40.91 -32.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.924 HD21 HG11 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -82.91 -44.88 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.698 HG23 ' HG2' ' A' ' 29' ' ' GLU . 69.7 t -53.81 -53.42 26.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -7.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.84 -6.94 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.812 ' CD1' HG21 ' A' ' 56' ' ' VAL . 2.7 mt -121.82 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.64 -27.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -58.84 -28.42 66.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 43.3 m-85 -79.43 -64.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.46 -138.26 2.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -98.87 143.87 28.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.1 mt -103.79 127.0 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -78.45 -68.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' CE1' ' O ' ' A' ' 45' ' ' VAL . 49.0 t80 -142.94 155.55 44.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 ' CG ' ' A' ' 29' ' ' GLU . 11.3 m -121.17 158.57 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.706 ' SD ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttm -137.02 134.75 36.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.2 mmt -107.59 117.49 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE1' HD21 ' A' ' 55' ' ' LEU . 75.5 mtm -122.33 106.35 35.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.44 18.02 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -38.18 -64.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -139.01 37.33 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 55.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 19' ' ' HIS . 31.2 mt-30 -116.84 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -170.51 143.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.706 HD12 ' SD ' ' A' ' 46' ' ' MET . 24.2 mt -109.64 145.44 36.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CD1' ' A' ' 36' ' ' LEU . 18.3 t -133.26 97.67 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.1 tp10 -79.55 94.47 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 28.2 m-85 -64.54 152.14 42.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -42.04 -53.14 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.91 160.49 31.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.642 HD11 HG12 ' A' ' 14' ' ' VAL . 15.5 tt -66.83 -37.84 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -41.93 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.7 m -60.39 -62.25 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -41.04 -51.4 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 14' ' ' VAL . 13.4 mtpt -41.49 -59.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.763 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -61.37 -45.76 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 13.9 m -53.45 -39.14 64.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 108.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.788 HG21 ' CE1' ' A' ' 87' ' ' TYR . 95.6 t -76.67 -70.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.3 t -39.7 -37.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CD1' HG13 ' A' ' 74' ' ' VAL . 23.8 t80 -70.39 -42.16 72.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -71.61 -4.06 24.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.25 -35.58 7.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -27.65 23.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -139.75 139.0 20.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.01 152.18 40.38 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -134.03 152.85 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 82' ' ' GLN . 67.2 m-85 -132.89 137.82 46.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.642 HD13 ' CB ' ' A' ' 35' ' ' ALA . 12.4 mm -106.17 110.35 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 71.62 14.06 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.35 -16.94 48.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -89.62 143.36 26.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 1.6 tt0 -72.41 139.89 48.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -135.0 -177.21 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -137.84 134.44 35.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.637 ' HE1' HD21 ' A' ' 36' ' ' LEU . 98.2 m-85 -119.3 113.51 20.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.3 138.23 29.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.788 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.3 m-85 -40.69 144.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -95.82 144.94 25.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 89' ' ' THR . 44.6 p -53.35 -36.61 61.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.2 169.83 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.965 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -105.25 -42.87 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -120.46 149.06 42.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 33.7 mt -73.24 134.67 29.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.1 m -71.26 125.62 27.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -90.27 155.35 46.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 121.95 169.4 13.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.89 102.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 -62.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.51 165.5 11.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -120.15 148.18 43.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.34 155.61 20.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.595 1.184 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m 64.73 -88.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.73 -56.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.88 75.94 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -125.76 100.52 6.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -151.1 81.72 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.09 120.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -145.16 160.05 42.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 109.982 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 -60.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 m80 62.05 88.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.61 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.92 65.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.57 140.76 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 p -104.28 177.56 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.743 HG12 HD11 ' A' ' 61' ' ' ILE . 17.2 t -55.66 159.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -155.33 141.74 13.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.98 -2.9 13.14 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 91' ' ' LYS . 22.1 t -116.92 109.24 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.3 t -84.63 123.99 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 22.7 t-160 -80.32 105.88 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.905 HG11 HD21 ' A' ' 32' ' ' LEU . 5.9 t -86.71 113.01 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.14 164.57 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.82 68.49 1.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.83 -175.59 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.17 153.85 21.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.41 -15.3 35.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.37 65.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.03 138.39 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.41 158.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.778 ' HG3' HG21 ' A' ' 45' ' ' VAL . 2.9 tt0 -47.27 -51.48 18.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -39.99 -67.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.755 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -41.04 -29.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -88.79 -42.91 11.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 29' ' ' GLU . 91.5 t -56.01 -50.94 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.03 -7.55 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.714 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.96 3.01 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD13 HG11 ' A' ' 56' ' ' VAL . 5.2 mt -135.5 -42.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -46.38 -24.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -22.55 64.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 51.1 m-85 -82.15 -67.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.2 -121.92 0.88 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 m -118.45 141.5 48.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.456 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.8 mt -101.6 127.49 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 t -79.57 -69.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 45' ' ' VAL . 56.5 t80 -138.23 157.69 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.778 HG21 ' HG3' ' A' ' 29' ' ' GLU . 12.3 m -124.28 158.73 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.498 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -138.19 136.49 36.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mmt -106.71 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.616 ' HE1' HD21 ' A' ' 55' ' ' LEU . 31.1 mtm -115.63 113.13 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LYS . 18.0 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 57.96 -83.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' PRO . 4.9 mmtp -70.92 -8.57 53.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 59.56 44.02 15.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 75.1 mt-30 -96.81 172.0 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 46' ' ' MET . . . -162.13 138.9 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD21 ' HE1' ' A' ' 48' ' ' MET . 13.4 mt -107.08 143.98 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.868 HG11 HD13 ' A' ' 36' ' ' LEU . 54.6 t -135.26 95.95 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.6 OUTLIER -77.64 95.17 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 31.7 m-85 -63.73 152.77 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -43.8 -44.06 6.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 164.82 26.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD11 HG12 ' A' ' 14' ' ' VAL . 10.0 tt -69.13 -26.62 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -53.31 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -55.53 -52.06 64.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -44.08 -53.32 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HE3' HG21 ' A' ' 14' ' ' VAL . 19.8 mtpt -56.7 -54.11 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.9 tp10 -43.35 -45.3 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 25.2 t -61.36 -54.94 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 87' ' ' TYR . 34.3 t -54.01 -71.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.516 HG23 ' N ' ' A' ' 70' ' ' PHE . 8.8 t -40.64 -53.84 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 15.6 t80 -60.05 -34.5 73.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -80.07 3.11 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.71 -32.82 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.25 -31.71 16.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.5 p -135.0 138.39 29.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -74.99 148.34 35.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -127.85 153.7 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 81' ' ' GLN . 47.6 m-85 -134.11 134.5 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.714 HD13 ' CB ' ' A' ' 35' ' ' ALA . 5.7 mm -105.74 122.26 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.755 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 56.89 33.47 23.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.97 24.92 72.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.3 mm-40 -127.97 150.84 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.2 tp60 -77.71 139.04 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.47 174.88 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -128.6 144.32 51.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' HE1' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -124.81 116.23 21.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -144.57 139.52 28.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 68' ' ' VAL . 19.8 m-85 -44.22 143.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 t -87.96 144.79 26.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 p -51.07 -42.75 60.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.97 144.54 25.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.688 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -67.92 -52.0 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -107.04 154.79 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' CG2' ' SD ' ' A' ' 46' ' ' MET . 71.6 mt -70.75 126.75 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 95.2 m -70.33 128.77 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -91.16 156.11 44.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 93.05 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.66 -154.49 12.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -133.57 162.92 30.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.3 t -144.58 139.91 28.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -148.89 173.62 28.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.14 42.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.2 t -136.88 116.86 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -112.47 153.99 26.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m 53.85 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -164.96 131.02 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.53 77.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 p -140.96 92.77 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -138.7 168.71 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.41 92.68 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.08 145.02 31.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -121.24 92.32 3.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -148.67 149.94 32.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 158.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG21 HG22 ' A' ' 89' ' ' THR . 70.1 t 62.75 138.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -127.28 112.64 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 61' ' ' ILE . 97.1 t 58.94 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 28.9 t -159.16 134.84 6.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' HG12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 0.94 8.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.3 t -126.87 101.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.466 HG13 HG22 ' A' ' 68' ' ' VAL . 1.5 t -80.89 120.21 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 15.7 t-160 -80.43 109.07 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 32' ' ' LEU . 7.8 t -86.02 116.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' NE ' ' CE1' ' A' ' 19' ' ' HIS . 13.2 mtt180 -113.64 173.93 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.64 64.34 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD21 ' CG1' ' A' ' 20' ' ' VAL . 49.3 mt -102.79 169.03 8.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -81.62 157.91 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -27.85 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.94 72.14 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.4 t -117.34 137.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.34 -179.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HG11 ' A' ' 45' ' ' VAL . 21.7 tt0 -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.66 -66.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . 7.7 m-20 -38.14 -35.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 20' ' ' VAL . 2.5 mt -84.37 -47.43 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 37' ' ' GLU . 71.3 t -54.71 -47.42 73.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -9.54 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.89 -39.05 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -84.29 -51.61 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 pp20? -40.16 -34.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -47.92 -25.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 52.2 m-85 -82.93 -70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.88 -121.69 0.95 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 m -112.26 148.05 34.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 36' ' ' LEU . 8.9 mt -112.82 123.06 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.75 -60.22 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 24.8 t80 -145.36 164.44 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.631 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 81.0 t -140.41 117.65 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.6 OUTLIER -100.38 137.15 39.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.85 119.11 38.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.1 mtm -111.15 106.57 57.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.63 17.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.96 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 14.1 mttt -130.52 58.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? 44.69 61.61 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 6.3 mt-30 -125.43 166.69 16.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.2 141.07 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 6.4 mt -103.25 142.15 34.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.624 HG21 ' CD1' ' A' ' 36' ' ' LEU . 53.7 t -128.18 98.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 2.0 tt0 -85.15 96.27 9.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.38 156.03 37.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.43 -48.34 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.01 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.863 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -51.1 -46.71 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ILE . 68.2 m-20 -38.82 -54.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.863 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -51.07 -45.72 61.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' CG ' HG13 ' A' ' 14' ' ' VAL . 7.7 mtpt -58.26 -52.58 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 3.2 tt0 -51.49 -42.34 61.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 41.8 t -62.22 -63.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.63 HG21 ' CD1' ' A' ' 87' ' ' TYR . 70.6 t -50.55 -71.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 70' ' ' PHE . 7.7 t -36.55 -52.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 70.2 t80 -63.06 -41.51 99.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 85' ' ' PHE . . . -81.5 5.1 18.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -107.66 -27.39 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.26 -27.4 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 75' ' ' PRO . 70.4 t -120.52 143.07 35.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.06 146.4 32.38 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 t -137.16 138.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 43.8 m-85 -123.16 143.42 50.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.1 mm -114.46 106.2 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 78.6 14.05 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.28 -14.83 56.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -100.0 125.95 46.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -48.06 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.88 -175.12 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.76 148.31 52.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.658 ' HE1' HD21 ' A' ' 36' ' ' LEU . 89.8 m-85 -137.28 120.21 16.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -147.34 160.18 42.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.63 ' CD1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -62.66 133.15 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 17.4 t -93.71 139.15 31.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.509 HG22 HG21 ' A' ' 12' ' ' VAL . 10.4 p -84.73 45.49 1.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -123.76 -41.06 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.942 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER 82.42 -61.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.06 156.0 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 13.5 mt -100.45 120.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.9 m -50.75 136.92 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -95.29 156.11 38.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.58 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.89 86.0 1.42 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -97.63 149.7 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.18 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.69 120.22 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.79 42.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.7 m -127.53 101.87 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -125.31 93.49 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -89.77 141.12 28.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.3 123.67 0.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -173.89 110.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.99 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -159.05 154.85 26.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.954 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.5 73.43 0.23 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.71 88.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 91.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.641 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -122.67 45.02 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -131.72 73.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -145.16 145.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 p -109.47 171.91 7.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 61' ' ' ILE . 41.7 t -46.27 157.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -154.44 146.87 17.51 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -9.24 20.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 91' ' ' LYS . 21.2 t -112.24 108.03 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 68' ' ' VAL . 1.8 t -83.55 122.22 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -80.24 106.22 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 32' ' ' LEU . 5.4 t -86.75 123.82 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -128.23 161.29 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 53.17 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 78' ' ' ILE . 68.8 mt -97.88 170.14 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 162.68 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -34.63 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -115.66 77.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 t -117.53 148.04 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.8 -179.72 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.4 tt0 -65.79 -56.67 10.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -42.84 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -40.7 -30.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD21 HG11 ' A' ' 20' ' ' VAL . 2.2 mt -89.28 -42.93 11.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 29' ' ' GLU . 54.5 t -55.57 -49.28 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -68.96 -6.87 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -106.38 -23.95 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.889 HD13 HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -104.24 -51.65 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -39.59 -31.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -48.61 -24.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 53.0 m-85 -84.23 -67.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.68 -131.14 1.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 m -101.76 146.2 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.836 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.5 mt -111.62 111.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.7 t -60.74 -61.54 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 37.9 t80 -146.17 168.47 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 56' ' ' VAL . 92.9 t -144.45 131.13 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.565 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -115.0 139.25 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.99 126.94 52.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' A' ' 55' ' ' LEU . 66.4 mtm -121.38 106.33 38.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.26 21.07 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -41.9 -65.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 7.8 mttt -139.07 59.58 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? 42.04 59.85 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.4 mt-30 -120.69 171.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.87 139.59 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.348 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 3.9 mt -108.14 145.82 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.889 HG21 HD13 ' A' ' 36' ' ' LEU . 3.4 t -135.59 102.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.4 tt0 -84.12 94.48 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -63.43 159.25 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 60' ' ' ASN . 6.3 pt-20 -50.71 -38.33 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -137.49 176.28 8.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 14' ' ' VAL . 12.9 tt -83.94 -23.76 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.65 -41.73 99.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.05 -37.03 75.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.39 -50.75 68.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 69' ' ' THR . 2.7 mtpm? -56.21 -54.08 49.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 4.5 tt0 -42.19 -43.43 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 44.1 t -63.39 -54.03 43.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 41.7 t -57.94 -70.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 65' ' ' LYS . 8.9 t -38.24 -50.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' GLU . 34.8 t80 -66.22 -38.21 87.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.46 3.19 25.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -110.1 -26.93 9.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.76 -34.3 7.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.708 HG13 ' HD2' ' A' ' 75' ' ' PRO . 67.8 t -113.54 143.17 28.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.708 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.99 142.7 28.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 t -133.66 142.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CD2' ' N ' ' A' ' 82' ' ' GLN . 36.4 m-85 -130.23 140.49 50.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 23' ' ' LEU . 28.7 mm -108.21 109.16 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 67.84 35.95 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.52 24.34 73.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.86 119.13 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.554 ' N ' ' CD2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -46.47 142.05 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -144.12 170.46 15.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -116.33 156.11 27.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.624 ' HE1' HD21 ' A' ' 36' ' ' LEU . 95.5 m-85 -143.47 114.68 7.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.98 142.43 30.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 24.3 m-85 -45.47 152.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -117.81 148.06 42.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.8 p -88.48 41.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER -116.53 -34.61 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.012 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 mmtt 68.85 -61.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -116.89 155.47 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 46' ' ' MET . 2.0 mt -111.23 145.71 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.7 m -80.21 128.35 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.645 ' HG3' ' N ' ' A' ' 96' ' ' PRO . 1.1 ttt180 -83.45 141.9 42.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.645 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -74.94 66.44 5.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.04 155.39 12.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -126.14 -56.64 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.3 78.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.91 86.33 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 161.84 37.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.6 124.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.5 m 56.8 166.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -130.59 121.43 25.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -48.02 -58.44 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.12 -166.57 35.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -83.73 151.61 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.06 169.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.78 114.77 4.32 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -117.24 111.32 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 108.59 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -131.06 156.94 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.9 139.14 37.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.91 148.99 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -80.0 163.48 24.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.668 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 10.1 t -42.82 161.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.461 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 46.7 t -154.9 132.87 6.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.96 -0.73 10.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 91' ' ' LYS . 46.8 t -119.95 103.88 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 58' ' ' PHE . 2.0 t -81.82 126.11 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 20.9 t-160 -83.16 108.02 16.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.803 HG11 HD21 ' A' ' 32' ' ' LEU . 5.2 t -86.54 135.81 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -140.22 172.88 12.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.14 44.77 63.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD22 HG21 ' A' ' 78' ' ' ILE . 54.4 mt -85.83 168.48 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' H ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -73.55 165.98 24.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 108.308 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.95 -42.19 98.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.83 80.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG21 ' H ' ' A' ' 24' ' ' CYS . 2.8 t -116.44 134.73 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.87 174.95 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG3' HG11 ' A' ' 45' ' ' VAL . 24.7 tt0 -56.5 -58.21 8.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -40.48 -66.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.683 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 22.6 m-20 -39.04 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HG11 ' A' ' 20' ' ' VAL . 2.6 mt -84.03 -46.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' GLU . 97.7 t -55.99 -52.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -13.69 14.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.9 -1.47 24.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD21 ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -138.02 17.24 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.7 pp20? -96.83 -17.5 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' CE ' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.87 -26.18 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 67' ' ' CYS . 33.3 m-85 -74.99 -59.03 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.06 -146.53 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -89.0 139.18 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.362 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 33' ' ' VAL . 5.3 mt -100.36 112.3 32.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -61.22 -70.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 43.0 t80 -139.15 168.96 18.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 29' ' ' GLU . 71.9 t -143.03 116.83 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.484 ' HE2' HD12 ' A' ' 55' ' ' LEU . 1.3 tpp -96.39 138.48 33.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 120.16 37.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.1 mtm -116.31 106.77 48.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.16 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -122.38 45.01 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? 52.09 47.3 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 1.9 mt-30 -108.92 174.51 5.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.26 149.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 7.7 mt -109.36 144.29 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.695 HG21 HD13 ' A' ' 36' ' ' LEU . 42.1 t -129.85 100.96 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -86.68 95.92 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' HE2' HG21 ' A' ' 18' ' ' VAL . 35.7 m-85 -65.7 154.43 38.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.22 -41.68 62.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -134.19 143.18 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -54.52 -49.59 64.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 5.7 m-20 -38.39 -32.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -73.05 -56.44 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.025 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.781 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -42.94 -45.23 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -52.78 -57.74 9.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 49.2 t -43.72 -63.94 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 64' ' ' ALA . 4.9 t -52.26 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -39.16 -66.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.57 ' CZ ' ' CE ' ' A' ' 38' ' ' LYS . 46.5 t80 -52.13 -35.32 47.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 67' ' ' CYS . . . -84.11 7.64 18.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -109.28 -28.98 8.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.15 -32.63 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 75' ' ' PRO . 76.7 t -111.99 141.24 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.0 139.03 23.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.502 1.791 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -130.08 140.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -129.72 143.38 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 32' ' ' LEU . 42.1 mm -106.34 96.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 75.91 17.24 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.22 -21.3 31.43 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.411 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -91.09 129.62 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -65.15 144.73 57.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 23' ' ' LEU . . . -141.81 177.64 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.83 150.48 39.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.731 ' CE1' HD21 ' A' ' 36' ' ' LEU . 82.3 m-85 -135.46 124.36 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -153.68 159.22 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 14' ' ' VAL . 20.1 m-85 -62.98 132.28 51.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -81.53 133.56 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.5 p -41.26 -39.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.75 135.85 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.689 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -61.6 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -102.92 155.26 18.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 56.7 mt -71.44 140.53 18.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.9 m -78.69 129.33 34.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -101.2 152.85 38.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.26 31.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.32 -167.1 24.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.412 1.07 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -145.75 149.46 34.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.9 p -137.32 167.5 21.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.3 165.18 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 77.64 3.09 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.485 1.781 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.6 p -40.74 113.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 158.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -157.09 107.85 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -174.7 164.91 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.36 -168.3 34.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.61 -59.09 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.35 170.5 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.36 149.61 6.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -69.14 173.44 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -157.5 120.91 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 14.8 t-160 52.81 46.26 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.55 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -115.95 63.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.33 170.91 12.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 m -75.75 -174.6 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.743 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 15.6 t -63.47 159.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 40.6 t -159.4 143.71 11.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.41 21.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 39.5 t -109.43 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.1 t -81.64 118.9 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.613 ' NE2' ' CD ' ' A' ' 53' ' ' GLN . 4.3 t-160 -80.04 107.46 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 32' ' ' LEU . 11.3 t -85.89 135.22 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -133.14 173.76 11.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.1 54.01 10.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -91.88 160.65 15.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -70.59 165.69 22.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -1.3 28.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.43 62.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 24' ' ' CYS . 3.2 t -109.99 132.54 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -120.28 164.03 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.4 tt0 -46.43 -60.89 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 33' ' ' VAL . . . -36.78 -65.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.588 ' OD2' ' HB2' ' A' ' 79' ' ' ALA . 73.5 m-20 -39.74 -51.02 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD21 HG11 ' A' ' 20' ' ' VAL . 1.6 mt -67.69 -40.41 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' GLU . 94.3 t -56.52 -43.19 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.98 -8.62 56.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.773 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -107.2 -11.68 15.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.7 mt -115.64 -44.98 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -50.84 -25.2 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.565 ' HE3' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -60.91 -15.89 36.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 36' ' ' LEU . 34.1 m-85 -93.5 -65.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -157.55 -129.96 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.0 m -102.02 148.55 25.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.795 HD11 ' HB2' ' A' ' 36' ' ' LEU . 7.2 mt -113.86 117.63 56.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.63 -64.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CE1' ' NH1' ' A' ' 95' ' ' ARG . 68.3 t80 -148.41 161.64 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.586 HG11 ' HG3' ' A' ' 29' ' ' GLU . 73.1 t -135.59 125.53 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.516 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -108.16 143.8 36.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 46' ' ' MET . 1.6 mmt -110.27 110.11 20.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -97.37 109.59 50.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -63.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -155.4 75.03 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 24' ' ' CYS . 5.0 mmp_? 43.28 43.06 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.613 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 7.1 tt0 -101.08 165.16 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.56 139.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 48' ' ' MET . 3.3 mt -110.97 139.1 46.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 36' ' ' LEU . 54.5 t -123.08 101.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -87.46 94.76 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -67.29 164.81 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -57.01 -46.9 81.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.9 163.17 23.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 HG12 ' A' ' 14' ' ' VAL . 17.9 tt -72.44 -38.98 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.17 -45.29 53.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 m -59.66 -54.85 41.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -43.78 -45.89 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -51.45 -52.39 46.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.648 ' HA ' HG22 ' A' ' 69' ' ' THR . 5.4 tt0 -50.4 -54.05 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.441 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -50.1 -42.13 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 108.265 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' ALA . 99.0 t -70.75 -72.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 66' ' ' GLU . 5.2 t -41.59 -37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.631 ' O ' HG13 ' A' ' 74' ' ' VAL . 16.1 t80 -67.19 -42.39 84.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.634 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -75.5 2.8 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.11 -30.11 8.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.61 -35.79 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -126.24 137.6 30.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.4 Cg_endo -75.04 126.14 9.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.527 1.803 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.028 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -95.91 148.2 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -131.5 127.62 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.5 mm -104.34 105.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.588 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . 64.73 38.09 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.11 31.2 57.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' CD ' ' SG ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -143.55 116.91 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.333 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 17.4 tm0? -38.37 156.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' HG23 ' A' ' 76' ' ' VAL . . . -152.31 159.24 43.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -121.27 128.64 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 1.028 ' CE2' HG21 ' A' ' 76' ' ' VAL . 32.3 m-85 -115.41 116.78 28.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.77 138.96 34.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.743 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.9 m-85 -41.56 148.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' THR . 2.8 t -112.97 101.62 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' SER . 1.4 t -37.29 -34.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -42.14 -51.25 4.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 86.49 -50.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.14 143.97 50.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.516 HG23 ' HE2' ' A' ' 46' ' ' MET . 23.1 mt -83.13 142.1 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 m -82.18 130.95 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.516 ' NH1' ' CE1' ' A' ' 44' ' ' TYR . 29.8 mmt180 -93.05 156.9 39.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.59 154.08 41.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.44 115.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.0 p -146.8 145.63 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.62 -158.48 23.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 91.43 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.7 m -118.13 130.83 56.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 m -70.24 -59.11 3.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.67 146.79 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.17 135.58 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.24 121.95 0.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.542 1.151 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.7 p -123.79 127.38 48.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.68 122.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.99 77.14 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t 179.3 119.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -122.77 146.72 47.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -62.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.1 149.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -146.75 164.0 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 p -58.65 179.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.817 HG21 ' HE3' ' A' ' 65' ' ' LYS . 18.7 t -71.18 159.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 12.9 t -156.31 143.19 13.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.04 -14.4 21.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 91' ' ' LYS . 14.9 t -106.58 110.16 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 85' ' ' PHE . 1.7 t -84.82 126.68 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' CE1' ' NE ' ' A' ' 21' ' ' ARG . 23.8 t-160 -80.74 105.55 12.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.808 HG12 HD21 ' A' ' 23' ' ' LEU . 4.8 t -88.34 107.27 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.603 HH21 ' NE2' ' A' ' 53' ' ' GLN . 14.7 mtp180 -104.5 174.1 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.28 79.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.808 HD21 HG12 ' A' ' 20' ' ' VAL . 94.9 mt -118.76 179.81 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 158.84 23.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 108.298 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 2.1 tm-20 -62.6 -36.57 83.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -111.14 75.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 32' ' ' LEU . 2.8 t -109.5 143.54 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.6 m -133.9 162.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 33' ' ' VAL . 20.6 tt0 -41.69 -57.96 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -38.43 -64.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 79' ' ' ALA . 71.2 m-20 -39.83 -48.17 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.821 HD12 HD12 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -68.46 -55.48 11.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' GLU . 59.9 t -47.64 -52.48 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -34.99 65.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.757 ' HB3' HD13 ' A' ' 78' ' ' ILE . . . -95.25 7.65 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.994 ' CD1' HG21 ' A' ' 56' ' ' VAL . 6.0 mt -143.15 22.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 pp20? -106.81 -30.59 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -60.31 -24.36 64.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.701 ' HE2' HD23 ' A' ' 36' ' ' LEU . 30.4 m-85 -73.2 -65.03 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.77 -121.65 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -107.01 150.0 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.822 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -114.14 111.72 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -59.37 -73.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 50.9 t80 -135.81 171.78 13.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.868 HG22 HG22 ' A' ' 56' ' ' VAL . 77.3 t -145.33 141.75 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.6 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.9 ttm -124.95 144.27 50.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.33 126.07 52.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.617 ' HE1' HD21 ' A' ' 55' ' ' LEU . 57.4 mtm -120.28 106.32 40.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -12.6 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.66 -68.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -135.14 48.49 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 1.5 mmt85 52.96 51.33 16.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.603 ' NE2' HH21 ' A' ' 21' ' ' ARG . 6.8 mt-30 -106.86 168.33 9.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -162.05 135.13 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.617 HD21 ' HE1' ' A' ' 48' ' ' MET . 20.9 mt -106.96 147.15 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.994 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.0 t -137.96 105.82 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 1.0 OUTLIER -86.43 98.18 10.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HE2' HG21 ' A' ' 18' ' ' VAL . 39.6 m-85 -67.4 159.25 29.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.19 -49.48 32.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -124.91 169.15 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 14' ' ' VAL . 18.7 tt -80.95 -16.36 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -70.46 -32.36 69.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 m -72.07 -54.35 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.73 -48.12 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.817 ' HE3' HG21 ' A' ' 14' ' ' VAL . 13.0 mtpt -53.46 -53.03 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' PHE . 5.6 tt0 -48.61 -44.49 37.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -61.31 -52.23 65.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG21 ' CE1' ' A' ' 87' ' ' TYR . 99.1 t -54.02 -70.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -44.78 -49.91 10.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.624 ' O ' HG13 ' A' ' 74' ' ' VAL . 60.8 t80 -52.06 -38.21 56.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.723 ' HB2' ' HD2' ' A' ' 85' ' ' PHE . . . -80.69 8.83 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -108.9 -32.2 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.86 -37.26 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -125.3 137.15 29.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.5 Cg_endo -74.95 125.2 9.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.121 HG21 ' CE2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -95.29 150.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.08 125.27 30.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.821 HD12 HD12 ' A' ' 32' ' ' LEU . 3.4 mm -97.47 107.94 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . . . 63.97 39.32 8.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.69 26.21 70.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.9 OUTLIER -137.41 116.71 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 83' ' ' ALA . 1.1 tt0 -37.81 140.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 82' ' ' GLN . . . -138.89 157.89 45.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.87 130.71 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 1.121 ' CE2' HG21 ' A' ' 76' ' ' VAL . 20.9 m-85 -113.57 112.48 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.88 135.67 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 68' ' ' VAL . 22.8 m-85 -43.44 141.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -90.96 155.78 18.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.3 p -55.17 -55.16 34.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.79 173.27 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -97.25 -61.02 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -101.75 155.55 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.6 HG21 ' HB2' ' A' ' 46' ' ' MET . 36.1 mt -76.76 136.57 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 m -72.37 134.07 45.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -98.86 156.45 35.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.64 5.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 151.65 149.96 5.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -127.04 156.43 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -106.33 167.83 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.95 -178.88 17.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.48 3.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.59 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.73 107.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.6 81.16 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.14 152.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.67 -149.17 29.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -156.36 137.35 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 0.807 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.2 125.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.91 -155.66 27.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 t 48.57 96.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -121.6 -61.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -107.87 168.44 9.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -120.83 142.1 49.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 m -118.51 165.56 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -70.28 174.58 5.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.842 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 3.6 t -72.63 161.47 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.457 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 26.1 t -157.97 140.47 10.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.21 10.9 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.56 1.821 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.8 t -117.52 106.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 68' ' ' VAL . 1.8 t -81.64 126.91 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 15.1 t-160 -80.64 106.03 12.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HD21 ' A' ' 23' ' ' LEU . 4.6 t -87.37 118.67 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 1.5 mtt85 -123.37 162.74 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.13 55.25 28.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 78' ' ' ILE . 70.7 mt -94.33 -173.23 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -175.11 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.348 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.87 -35.22 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.83 77.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.28 135.03 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG22 ' OD2' ' A' ' 31' ' ' ASP . 22.8 m -117.75 167.91 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.531 ' HG3' HG11 ' A' ' 45' ' ' VAL . 15.5 tt0 -52.22 -57.21 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -41.28 -62.66 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' A' ' 28' ' ' VAL . 13.3 m-20 -39.68 -36.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 78' ' ' ILE . 2.5 mt -83.13 -49.85 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' GLU . 92.3 t -51.12 -57.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -14.79 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.97 -0.63 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 56' ' ' VAL . 1.8 mt -138.77 17.83 2.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.5 pp20? -97.88 -16.86 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' ' CE1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.07 -20.45 52.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 29.9 m-85 -80.95 -60.35 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.14 -152.02 7.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 m -85.32 137.97 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 36' ' ' LEU . 5.6 mt -101.76 114.37 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -64.67 -70.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.277 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 28.2 t80 -138.39 166.04 25.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 62.2 t -141.81 125.3 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' ILE . 2.8 ttm -110.95 141.83 43.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -107.74 128.19 54.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.505 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.2 mtm -121.67 106.3 37.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.74 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -67.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.02 48.68 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.91 39.31 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -99.87 169.28 9.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' LEU . . . -165.19 150.69 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 46' ' ' MET . 16.0 mt -115.99 141.03 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 36' ' ' LEU . 65.6 t -128.31 98.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -80.92 94.87 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.1 m-85 -67.42 156.91 35.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.53 -49.85 66.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.33 154.1 34.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -66.94 -17.76 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.16 -44.55 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -56.52 -58.12 9.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -43.5 -46.06 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.964 ' O ' HG22 ' A' ' 69' ' ' THR . 10.4 mtpt -67.08 -38.02 84.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' SER . 5.1 tt0 -64.6 -35.26 80.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.7 t -69.74 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.6 m -34.89 -70.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.964 HG22 ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -39.43 -59.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' H ' HG23 ' A' ' 69' ' ' THR . 72.6 t80 -52.05 -35.55 47.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . . . -86.53 7.22 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -111.72 -28.07 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.33 -29.28 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 75' ' ' PRO . 69.2 t -120.44 143.18 35.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.2 Cg_endo -75.0 137.36 21.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.44 133.25 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -122.61 140.31 52.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.696 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 27.2 mm -107.42 96.23 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 84.06 14.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.95 -25.28 16.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 135.36 33.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.94 171.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.45 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -92.28 149.23 21.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CE1' HD21 ' A' ' 36' ' ' LEU . 59.7 m-85 -132.46 122.37 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -155.2 160.62 41.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.842 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.6 m-85 -62.43 131.46 49.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -85.35 137.2 33.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.4 ' H ' HG23 ' A' ' 89' ' ' THR . 69.6 p -45.6 -45.68 13.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.54 166.79 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -106.54 -43.97 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -122.64 152.06 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 46' ' ' MET . 21.9 mt -85.75 144.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -105.79 131.88 52.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -45.17 153.07 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 70.58 5.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.411 1.743 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.33 160.19 33.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -142.8 139.77 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.99 139.17 21.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.957 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.04 103.21 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.5 16.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -68.96 159.55 32.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.6 t -118.9 -54.48 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.29 -58.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.946 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -87.73 144.54 26.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.9 -171.74 17.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m 63.39 151.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -109.23 150.49 27.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.98 174.49 40.74 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -143.53 144.44 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -130.93 120.22 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.588 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -105.96 -67.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -168.77 113.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.7 t -128.0 157.64 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.3 m -115.02 161.6 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.811 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 9.0 t -45.9 159.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 41.8 t -153.45 141.77 14.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.99 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 92.3 t -114.69 104.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 68' ' ' VAL . 2.4 t -82.45 122.0 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -80.46 109.27 14.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 32' ' ' LEU . 6.9 t -86.96 124.87 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -122.48 167.69 13.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.41 56.4 22.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 mt -98.55 148.77 23.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -53.89 153.83 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -50.37 47.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -107.91 80.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.1 t -108.16 135.58 46.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG23 ' H ' ' A' ' 31' ' ' ASP . 15.6 m -112.39 168.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 23.7 tt0 -58.98 -54.39 47.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.17 -61.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 28' ' ' VAL . 5.3 m-20 -40.96 -29.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 20' ' ' VAL . 2.8 mt -91.13 -45.45 8.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.8 t -55.32 -50.21 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.23 -7.16 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.619 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.77 -21.41 13.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 42' ' ' ILE . 1.5 mt -104.43 -41.16 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.3 pp20? -47.6 -23.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.29 -25.43 67.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 56.5 m-85 -82.51 -67.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.95 -128.8 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.2 m -103.69 147.12 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -112.73 121.04 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.5 t -70.52 -63.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 108.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 54.3 t80 -145.64 171.26 14.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 84.0 t -144.28 130.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.447 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.4 tpp -114.63 139.42 49.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.54 126.1 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.432 ' CE ' HD21 ' A' ' 55' ' ' LEU . 41.4 mtm -120.11 108.51 38.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -13.72 21.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.72 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -134.4 43.67 2.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.6 mmt-85 56.48 46.02 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -102.97 169.68 8.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.46 138.0 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.5 mt -103.96 138.96 39.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 36' ' ' LEU . 49.2 t -125.34 97.08 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . 1.1 tp10 -81.69 93.96 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 28.0 m-85 -66.85 161.18 24.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.24 -42.94 82.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -129.55 154.32 47.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD11 HG12 ' A' ' 14' ' ' VAL . 13.6 tt -64.69 -25.53 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.36 -44.21 88.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.595 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m -60.47 -56.17 24.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.785 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -44.93 -41.2 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.959 ' O ' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -69.85 -37.07 76.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' SER . 3.7 tp10 -62.62 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.603 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 49.5 t -68.77 -69.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 64' ' ' ALA . 1.2 m -34.81 -71.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.959 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.3 t -37.68 -59.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.61 ' O ' HG13 ' A' ' 74' ' ' VAL . 36.8 t80 -51.19 -37.72 48.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.84 8.8 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -110.23 -30.96 7.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.79 -35.7 9.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 70' ' ' PHE . 1.5 p -127.64 139.94 36.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -74.98 136.54 20.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 t -116.59 143.99 25.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -121.14 142.67 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.7 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.9 mm -116.62 96.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 83.94 26.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.11 -3.87 82.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -111.64 127.09 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -45.29 164.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -160.18 159.53 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.04 161.62 18.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HE1' HD21 ' A' ' 36' ' ' LEU . 80.3 m-85 -145.21 112.84 6.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -141.54 133.87 28.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.811 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 21.4 m-85 -40.36 136.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -89.52 144.83 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.2 p -79.95 -11.33 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.4 p -73.57 -41.75 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER 83.15 -52.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -124.8 147.73 48.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' GLU . 8.2 mt -84.34 134.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.5 m -71.35 131.01 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -95.59 155.94 38.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.99 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -55.57 162.3 5.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.65 135.02 37.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.1 t -167.66 145.79 4.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.85 86.57 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.77 17.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.01 136.92 54.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.53 -58.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.11 160.87 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.25 -57.23 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.85 -103.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -127.23 152.54 47.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -61.75 146.45 49.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.03 125.63 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.18 136.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.05 127.29 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.83 111.3 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.564 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.39 153.98 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 m -138.01 172.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.2 p -58.39 164.38 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.658 HG12 HD11 ' A' ' 61' ' ' ILE . 39.9 t -56.2 158.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -162.19 142.84 7.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 61.5 t -113.6 104.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 85' ' ' PHE . 2.2 t -82.16 126.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' HG2' ' A' ' 53' ' ' GLN . 19.7 t-160 -81.51 106.87 13.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 32' ' ' LEU . 4.0 t -86.65 137.27 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -146.13 159.92 42.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.11 46.1 67.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 32' ' ' LEU . 36.1 mt -93.45 153.17 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.86 160.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 108.279 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -42.84 99.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.5 81.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.3 t -116.4 159.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' N ' ' OD2' ' A' ' 31' ' ' ASP . 24.1 m -130.92 -165.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.75 ' HG3' HG11 ' A' ' 45' ' ' VAL . 26.1 tt0 -80.0 -57.87 3.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLU . . . -35.77 -66.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.703 ' OD2' ' N ' ' A' ' 28' ' ' VAL . 1.8 p30 -36.01 -48.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 20' ' ' VAL . 3.0 mt -70.87 -48.54 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' O ' ' N ' ' A' ' 37' ' ' GLU . 93.0 t -49.78 -66.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -13.13 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -97.37 -2.7 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.946 HD13 HG11 ' A' ' 56' ' ' VAL . 3.0 mt -129.35 -37.79 1.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -45.64 -29.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -58.78 -28.85 66.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 67' ' ' CYS . 33.0 m-85 -79.41 -69.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.33 -145.36 4.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -92.41 147.69 22.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.2 mt -111.46 132.47 59.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -64.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 59.3 t80 -140.09 170.42 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.75 HG11 ' HG3' ' A' ' 29' ' ' GLU . 59.8 t -141.1 114.06 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.758 ' HE2' HG23 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -96.01 133.91 39.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 111.05 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.88 123.81 47.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.6 mtm -123.82 107.32 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.03 -12.5 21.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -37.7 -57.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.98 41.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 56.75 42.32 26.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 4.3 mt-30 -103.16 177.92 4.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -174.23 143.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 5.7 mt -104.67 139.0 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.946 HG11 HD13 ' A' ' 36' ' ' LEU . 49.0 t -123.27 96.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' A' ' 57' ' ' GLU . 3.3 tp10 -78.15 95.38 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CZ ' ' SG ' ' A' ' 67' ' ' CYS . 30.6 m-85 -68.14 158.19 33.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.05 -49.84 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.24 161.93 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 14' ' ' VAL . 17.3 tt -71.07 -36.4 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.81 -42.33 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' ALA . 2.7 m -62.83 -60.61 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -38.67 -52.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -42.74 -67.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -46.15 68.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.614 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 28.4 m -48.27 -49.05 34.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 64' ' ' ALA . 8.9 t -70.05 -67.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -39.29 -62.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 16.1 t80 -51.82 -32.51 31.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -81.76 8.41 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' THR . . . -113.47 -34.91 5.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.49 -35.8 22.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 ' HD2' ' A' ' 75' ' ' PRO . 1.6 p -126.3 139.93 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 74' ' ' VAL . 18.3 Cg_endo -75.02 145.52 31.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.1 139.01 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.47 143.34 45.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.574 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 20.2 mm -106.6 105.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 75.43 6.66 4.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.09 -25.11 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.75 131.42 36.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.75 163.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.1 172.57 17.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.15 151.3 51.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE1' HD21 ' A' ' 36' ' ' LEU . 94.6 m-85 -136.79 124.93 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -149.71 138.3 20.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.658 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 23.1 m-85 -40.68 138.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 40.6 t -80.38 153.03 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 64.4 p -54.55 -54.09 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.6 173.92 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 5.5 mmtm -87.13 -72.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -94.56 155.25 16.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.758 HG23 ' HE2' ' A' ' 46' ' ' MET . 55.0 mt -71.22 141.94 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.0 m -71.92 128.81 36.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -95.46 154.09 39.4 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 97.13 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.7 175.61 0.64 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -150.97 125.32 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.787 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 p -85.2 142.68 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.54 170.24 23.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.72 30.75 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.7 p -158.12 166.19 33.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 63.1 137.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.18 165.55 11.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -59.75 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.4 142.49 9.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 p -68.38 151.83 46.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.034 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.12 156.69 19.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.35 134.84 3.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -119.12 -65.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 80.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -91.9 -68.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.618 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.14 62.21 2.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -127.77 140.99 47.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 m -106.91 168.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.783 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 7.8 t -48.87 159.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 3.5 t -159.61 142.02 9.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HD3' HD12 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -75.03 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' LYS . 44.5 t -117.29 102.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG13 HG13 ' A' ' 68' ' ' VAL . 2.3 t -81.4 123.08 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -80.6 107.81 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 53' ' ' GLN . 4.8 t -86.17 128.17 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -127.4 163.26 24.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 62.61 5.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.75 161.34 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -63.44 167.12 5.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -14.32 61.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -140.15 74.26 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 24' ' ' CYS . 2.2 t -105.91 145.35 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.547 HG23 ' H ' ' A' ' 31' ' ' ASP . 33.5 m -120.27 169.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 33' ' ' VAL . 37.2 tt0 -59.97 -55.27 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 32' ' ' LEU . . . -44.19 -61.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.547 ' H ' HG23 ' A' ' 28' ' ' VAL . 11.2 m-20 -41.56 -29.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HG ' HG21 ' A' ' 78' ' ' ILE . 1.3 mt -92.36 -42.95 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 29' ' ' GLU . 47.3 t -53.76 -53.11 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.99 -6.63 29.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.622 ' CB ' HD13 ' A' ' 78' ' ' ILE . . . -105.23 -14.09 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.778 ' HB2' HD11 ' A' ' 42' ' ' ILE . 2.0 mt -114.14 -40.32 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 pp20? -47.67 -26.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -58.92 -20.54 52.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' SG ' ' A' ' 67' ' ' CYS . 54.5 m-85 -88.6 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.16 -135.44 1.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 m -98.97 140.95 32.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -104.75 116.04 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -64.07 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 45' ' ' VAL . 53.9 t80 -151.8 163.21 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG11 ' HG3' ' A' ' 29' ' ' GLU . 97.9 t -136.31 131.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.621 ' HB2' HG21 ' A' ' 93' ' ' ILE . 1.1 ttp -118.1 141.36 48.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.7 129.72 53.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.552 ' HE3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -114.47 111.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -74.99 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 49.1 m-85 -151.26 127.92 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt 44.6 30.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 45.93 94.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 78.8 mt-30 -142.98 169.85 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.68 140.2 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HE3' ' A' ' 48' ' ' MET . 6.2 mt -105.43 136.81 44.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 36' ' ' LEU . 51.4 t -124.31 96.56 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HB2' HD11 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -81.22 94.47 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 29.4 m-85 -67.46 157.84 33.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -50.09 -48.86 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.33 162.1 22.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.726 HD11 HG12 ' A' ' 14' ' ' VAL . 15.7 tt -69.6 -25.06 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -60.12 -53.79 53.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.583 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m -46.39 -56.04 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.969 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -47.16 -44.98 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.904 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.3 OUTLIER -70.24 -37.48 74.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.612 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -68.23 -64.01 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 ' O ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -39.37 -72.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 65' ' ' LYS . 1.5 t -37.5 -58.94 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.448 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 66.9 t80 -50.91 -39.79 55.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -84.82 8.67 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -110.48 -27.95 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -31.82 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 75' ' ' PRO . 75.9 t -116.86 140.61 27.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 74' ' ' VAL . 18.1 Cg_endo -75.0 133.47 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.47 133.85 67.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -122.07 135.63 54.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.622 HD13 ' CB ' ' A' ' 35' ' ' ALA . 14.7 mm -108.27 116.45 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 78' ' ' ILE . . . 73.94 6.44 4.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.83 -22.58 18.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -93.29 145.25 24.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.21 161.12 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.91 165.37 15.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.614 ' HE1' HD21 ' A' ' 36' ' ' LEU . 84.1 m-85 -149.24 112.9 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.13 136.42 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.783 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 22.8 m-85 -41.2 143.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -106.1 150.52 25.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.7 p -94.07 31.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -110.62 -26.72 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.7 mmtt 67.8 -67.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.6 mtt180 -111.44 155.39 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 46' ' ' MET . 11.6 mt -94.12 133.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 78.1 m -62.01 135.15 57.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -94.54 154.17 40.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -53.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 60.25 -164.26 15.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t30 177.77 101.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -128.42 123.17 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.058 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -131.31 89.89 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.04 22.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.12 126.96 52.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 p -72.33 -60.55 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.963 . . . . . . . . 0 0 . 1 stop_ save_